Molecular Interactions
|
|
- Augusta Ramsey
- 5 years ago
- Views:
Transcription
1 Molecular Interactions (non-covalent) كيمياء دوائية -1 lمحمد نورالدين محمود القطان 1 st edtition 2017
2 Introduction to molecular dynamics Molecular dynamics deals with the reversible molecular interaction. The reversible molecular interaction could be: 1. Between similar molecules (E.g. water) Can be used to estimate dissociation constant physicochemical properties like b.p., m.p., surface tension,..etc 2. Different molecules (E.g. drug-receptor as Glutathione-GST ) Can be used to estimate dissociation constant pharmacological activity
3 Reversible (non-covalent) interactions are present in almost all biological processes. Enzyme catalysis Flagellum motor Vesicles transport DNA-transcription
4 Reversible non-covalent interactions may be used to design molecular machines
5 Intermolecular interactions Most of the drugs interact with the receptors through reversible intermolecular interactions. Very few drugs interact with the receptors through irreversible intermolecular interactions. Those which interact irreversibly are usually poisonous drugs. There are several types of non-covalent interactions that take place between molecules: 1. Electrostatic 2. Hydrogen bond 3. Ion-dipole 4. Dipole-dipole 5. Dipole-induced dipole 6. Induced dipole-induced dipole (Van der Waals) 7. Hydrophobic The non-covalent interactions differs in their: 1. Physicochemical principle 2. Effective distance 3. Strength
6 Types of molecular interactions The non-covalent interactions can occur between: 1. Intramolecular interaction: like drug with itself This can affects drug physicochemical properties like solubility, volatility, freezing and boiling point 2. Intermolecular interaction : - Drug-Drug :affects physicochemical properties like solubility, volatility, freezing and boiling point - Drug-receptor: affects potency of pharmacological activity receptor
7 1. Electrostatic Electrostatic or ionic interactions is the strongest (20-40 KJ/mol) Takes place between groups which have opposite charges such as carboxylate and ammonium ions It usually drags the drug to inter the binding site, before other interactions takeplace E ij = q iq j 4πεr ij The strength of interaction is 1. Inversely proportional to the distance between the two charged atoms 2. Depends on the dielectric constant of the medium (stronger in hydrophobic than in polar environments, thus drug interaction with deep binding site usually is stronger than with superficial binding site) 3. Is the most important interaction to drag drug to enter the binding site. 4. The range is the longest (>3 Å) and depends on medium
8 2. Hydrogen bonds (HB) Is most important after electrostatic interactions It takes place between electron-rich heteroatom and electron-deficient hydrogen. - The electron-rich heteroatom has to have a lone pair of electrons and is usually oxygen or nitrogen (H-bond acceptor). - The electron-deficient hydrogen is usually lined by a covalent bond to an electronegative atom such as oxygen or nitrogen (H-bond donner). - Therefore, some electronegative atoms can act as H-bond donner and acceptor at the same time. Although H-bond can be considered as subtype of electrostatic interaction, it is the electron orbital sharing is involved between the two electronegative atoms Acceptor High electron density at O atom H Low electron density at H atom Donner H-bond range is 2-3 Å with energy of KJ/mol High electron density at N atom
9 2. Hydrogen bonds (HB) (Cont.)
10 2. Hydrogen bonds (HB) (Cont.) The orbital containing the lone pair of electrons on heteroatom (Y) interacts with the atomic orbitals normally involved in the covalent bond between X and H. This result in weak form of sigma (σ) bonding and has an important directional consequence that is not evident in electrostatic bonds The directionality of lone pair orbital of Y affects the strength of HB. - The optimum orientation is where the X H bond points directly to the lone pair on Y such that the angle formed between X, H, and Y is 180 (Strong:180, moderate: , weak ). - For example N in pyridine ring is sp2 hybridized and the lone pairs are points radially from the ring, which is different than piperidine The distance between Y and H affects the strength of HB. - The shorter the distance the stronger the bond. Typical distance is Å (compared to covalent Å) piperidine Pyridine
11 2. Hydrogen bonds (HB) (Cont.) The common types of electronegative atoms involved in drug-target interactions include: O, N and S. Oxygen has two lone pairs and can accepts two hydrogen bonds Nitrogen has one lone pair and can accepts one hydrogen bond. Sulfur is weak hydrogen bond acceptor because the lone pairs are in 3 rd -shell orbital which is large and diffuse. This means that the orbitals concerned interact less efficiently with the small 1s orbitals of hydrogen atoms. Fluorine is so electronegative, that it not shares e orbitals with other atoms (BAD HB acceptor) O N S
12 2. Hydrogen bonds (HB) (Cont.) Electronegative atoms are usually bound to other atoms within the drug molecule. Therefore, the electronegativity (or the electron density) is affected by other atoms. ē density of HBA strong HB Oxygen for COO - is stronger HBA than oxygen for COOH Most HBA in drugs and targets binding sites are neutral functional groups such as ethers, alcohols, phenols, amides, amines and ketones. These groups forms moderately strong HB Electron density of pi (π) systems (alkynes and aromatic rings) are diffuse and difficult to be shared by third party atoms (Hs), therefore behave as poor HBA. The localized electron density is more available for HB than the delocalized (i.e. resonance).
13 2. Hydrogen bonds (HB) (Cont.) Examples of strong hydrogen bond acceptors - carboxylate ion, phosphate ion, tertiary amine Examples of moderate hydrogen bond acceptors - carboxylic acid, amide oxygen, ketone, ester, ether, alcohol Examples of poor hydrogen bond acceptors - sulphur, fluorine, chlorine, aromatic ring, amide nitrogen, aromatic amine Example of good hydrogen bond donors - Quaternary ammonium ion
14 Examples DNA The stability of H-bonds falls roughly in the following order, OH---O > OH----N > NH----N Crystal structure of a short peptide l -Lys-d-Ala-d-Ala (bacterial cell wall precursor in green) bound to the antibiotic vancomycin (in blue) through 5 hydrogen bonds.
15
16 3. Ion-dipole interactions Occur where the charge on one molecule interacts with the dipole moment of another Stronger than a dipole-dipole interaction Strength of interaction falls off less rapidly with distance than for a dipole-dipole interaction R O C d+ d- R O C O R O d- C d+ R H 3 N Binding site Binding site
17 4. Dipole-dipole interactions Can occur if the drug and the binding site have dipole moments Dipoles align with each other as the drug enters the binding site Dipole alignment orientates the molecule in the binding site Orientation is beneficial if other binding groups are positioned correctly with respect to the corresponding binding regions Orientation is detrimental if the binding groups are not positioned correctly with respect to corresponding binding regions The strength of the interaction decreases with distance more quickly than with electrostatic interactions, but less quickly than with van der Waals interactions d- d+ R O C R Dipole moment Localised d ipole moment R C O R Binding site Binding site
18 5. Ion-induced dipole interactions Occur where the charge on one molecule induces a dipole on another Occurs between a quaternary ammonium ion and an aromatic ring + R N R 3 d+ d- Binding site The pi electrons are shared among orbitals of the 6 carbon atoms. Thus can form two electron clouds above and below the plane of the benzene ring
19 Example of Dipole-induced dipole interaction
20 6. Induce dipole-induced dipole (Van der Waals) Very weak interactions (2-4 KJ/Mol) with a ragne of 3-4 Angstroms Occur between hydrophobic regions of the drug and the target Due to transient areas of high and low electron densities leading to temporary dipoles Interactions drop off rapidly with distance Drug must be close to the binding region for interactions to occur The overall contribution of van der Waals interactions can be crucial to binding d+ d- Hydrophobic regions Transient dipole on drug van der Waals interaction DRUG d+ d- d- d+ Binding site
21 Examples of special induced-dipole induced-dipole interaction (π- π stacking) Heterocyclic π stacking between dump and the anticancer drug 1843U89 bound at the active site of thymidylate synthase (PDB code: 1TSD).
22 7. Hydrophobic interactions Hydrophobic regions of a drug and its target are not solvated Water molecules interact with each other and form an ordered layer next to hydrophobic regions - negative entropy Interactions between the hydrophobic interactions of a drug and its target free up the ordered water molecules Results in an increase in entropy Beneficial to binding energy التحول من الترتيب للعشوائية هو عملية تلقائية الوصول الى العشوائية اليستهلك طاقة بخالف الوصول الى الترتيب DRUG Drug Binding Binding site DRUG Drug Binding site Hydrophobic regions Water
23 7. Hydrophobic interactions (Cont.)
24 7. Hydrophobic interactions (Cont.)
25 Factors affecting the reversible interactions Several factors should be considered when studying the formation of reversible intermolecular interactions. Those factors affects the strength of the interactions and the final energy ( G) A) Factors related to the environment (affects enthalpy H) 1. The distance between interacting groups 2. The energy required to dry (desolvate) the surfaces before interaction takes place 3. The solvent conductivity or dielectric constant B) Factors related to the ligand and receptor molecule (affects entropy S) * Restriction of ligand and receptor conformational freedom
26 1. Distance All intermolecular interactions are distance dependent The strength of interaction is reduced by increasing the distance. Electrostatic E 1 r 2 H bond E 1 r 8 Van der Waals E 1 r 12 Best distance Therefore, the longer ranged interactions are electrostatic, followed by H-bond, then Van der Waals. For a given distance, the reduction in van der Waals potential is 10,000 times the reduction in H-bonding. Lowest energy
27 2. Desolvation penalty Desolvation is removal of solvent. The solvent is mainly water in biology. Although removing water from oil is spontaneous, it is very difficult to remove water from ethanol. WHY? Answer: no attraction between water and oil strong attraction between water and ethanol The increase in entropy can not compensate the energy required to الوصول الى العشوائية detach water from polar surfaces اليستهلك طاقة ولكن نزع الماء من السطح يستهلك طاقة Wet polar surface + DRUG Drug Binding Wet waxy surface - Binding site - + DRUG Drug Binding site Hydrophilic regions Water
28 2. Desolvation penalty (Cont.) Polar regions of a drug and its target are solvated prior to interaction Desolvation is necessary and requires energy The energy gained by drug-target interactions must be greater than the energy required for desolvation H O H O H O H H O O R C R H O H H O R C R H O O H O H R C R Binding site Binding site Desolvation - Energy penalty Binding site Binding - Energy gain
29 2. Desolvation penalty (Cont.) Solvation/desolvation ذوبان ملح الطعام يمثل عملية االذابة بالماء وترسب ملح الطعام يمثل عملية نزع الماء بما ان الملح هو مركب ايوني )قطبي( فان نزع الماء منه وتجفيفه تحتاج الى حرارة باالضافة الى ان عملية الترسب الى بلورات هي عكس العشوائية فتكون غير سهلة Dissolution of NaCl is a solvation process Precipitation of NaCl is a desolvation process Since NaCl is an ionic (polar) compound, the desolvation process to remove water molecules from its surface requires energy Inaddition, the process of NaCl crystallization lead to loss in entropy so it is not favourable
30 3. Dielectric constant The medium composition affects the interaction between charged groups electrostatic interactions The strength of ionic interactions is crucially depends on the dielectric constant of the medium. In biological systems, charges are separated by water molecules with different other molecules. The dielectric constant is - higher in bulk-phase of water (~80), - almost 28 at polar surface of proteins and - almost 4 in interior hydrophobic region of the proteins. The strength of interaction is increased as the dielectric constant is decreased. 1 strengt of interaction dielectric constant The dielectric constant is reduced as the binding pocket becomes more hydrophobic, more deep (away from the protein surface) and ligand best fit the binding pocket The interaction is stronger in vacuum than in water filled medium Low ligand fitness, water filled space < < Surface binding site, the ligand highly interacted with water during binding Deep binding site, the ligand slightly interacted with water during binding
31 4. Conformational changes The intramolecular interactions of the molecule determine the lowest energy conformation of the unbound drug. If the unbound drug can bind the receptor with its current conformation, no energy need to be paid to change the conformation. So the only loss will be in entropy. If the unbound drug can not bind the receptor with it s current conformation, the conformation need to be changed to fit the binding site, and this usually costs unfavorable energy. So the loss will be in enthalpy (take suitable conformation) and entropy (reduce the conformation randomness) Acetylcholine Acetylcholoine exist in solution in 1000s of conformations (only the most important are shown). Acetylcholine binds the nicotininc receptor with only one conformation Acetylcholine binds the muscarininc receptor with only one conformation
32 Molecular structural properties 2. Rigidity Nicotine showed selectivity for cholinergic receptors present on skeletal muscle or at the synapses between different neurons. Whereas muscarine showed selectivity for cholinergic receptors present on smooth muscle and cardiac muscle. Both of nicotine and muscarine are more rigid, thus more selective to particular subtype of cholinergic receptors More flexible Muscarine Acetylcholine Nicotine Less flexible Can fit only muscarinic receptors More flexible Can fit both receptors Less flexible Can fit only nicotininc receptors Muscarinic receptor Nicotinic receptor
33 Factors affecting the ligands-receptor interactions Energy (binding energy (طاقة االتحاد Enthalpy (heat of interaction (التغير بالحرارة Gibbs fee energy formula G = H T S Temperature (Abs Temp of medium (درجة حرارة الوسط Entropy (measure of randomness (التغير بالعشوائية Factors which affect the affinity (energy G) of ligand binding to receptor includes: 1. Enthalpy ( H): Number, types and strength of non-covalent interactions 2. Entropy ( S): Change in randomness of drug conformations, receptor side-chains conformations,. Spontaneous (favorable interactions) have G < 0 1. When H < 0 2. When S > 0
34 Factors affecting the ligands-receptor interactions (Cont.) Factors which affect the affinity (energy G) of ligand binding to receptor includes: التغير بالحرارة ( H): 1. Enthalpy - Gain ( H < 0): Formation of non-covalent interactions (Number, types and strength) - Loss ( H > 0): Destruction of water-ligand or water-receptor interactions (Desolvation of water) التغير بالعشوائية ( S): 2. Entropy - Gain ( S > 0): Removing the layer or arranged water around hydrophobic sites (hydrophobic interaction) - Loss ( S < 0): Reduction in randomness in drug conformations, receptor side-chains conformations.
35 Brief discussion about the relationship between entropy and binding affinity Consider the formation of a specific noncovalent bond (e.g. A B for the transformation A B A B ). An increase in its strength (which corresponds to an increasing negative contribution to Δ H, and a more favorable binding process) will be accompanied by an increasing restriction in the relative motion of A and B in A B (which corresponds to a negative contribution to Δ S, and so unfavorable to binding). This opposing interplay between enthalpy and entropy is known as enthalpy/entropy compensation, and is a fundamental property of noncovalent interactions. It can be interpreted that an enhancement of intermolecular binding is accompanied by a loss in degrees of freedom of mobility and vice versa. The two effects can be traded off against each other because the strength of noncovalent bonds is, at room temperature, comparable to the thermal energies that oppose them. The enthalpy/entropy compensation is of particular importance for the prediction of receptor ligand interactions: whereas the individual enthalpic and entropic contributions can vary over large ranges, the total change in free enthalpy is frequently close to zero. As a consequence, small relative errors in the prediction of Δ H and Δ S can have significant influence on Δ G. This concept is less important in the study of covalent bonds, which are typically too strong to be effectively opposed by thermal motions at room temperature.
36 You can view energy in different ways This is how we can correlate interaction energy with Kd The change in energy مقدار التغير في الطاقة + K on K off Using Gibbs free energy equation we can view energy as heat and randomness Using Arrhenius equation we can view energy as dissociation H T S = G = RT lnk d The change in heat مقدار التغير في الحرارة Temp * The change in randomness درجة الحرارة * التغير بالعشوائية Gas constant ثابت الغاز Temp درجة الحرارة Dissociation constant ثابت التفكك
37 You can view energy in different ways This is how we can correlate interaction energy with Kd The change in energy مقدار التغير في الطاقة + K on K off -ve for spontaneous rxn +ve for nonspontaneous rxn Zero at equilibrium (i.e. at Kd=1) Path independent (depend on starting and end states) Give information on rxn spontaneousity Give no information on rxnrate H T S = G = RT lnk d
38 Applications of non-covalent interactions 1. Receptor sof drugs Non-covalent interactions help the newly formed proteins to get their proper quaternary structure Proteins are synthesized as threads The folding of theses threads give the final protein structure (quaternary structure) The process of protein folding is driven usually by interactions between functional groups of the neiboring amino acids (intramolecular interaction) Folding of a polypeptide chain illustrating the hierarchy of protein structure from primary structure through secondary structure and tertiary structure. Source: From Copeland (2000).
39 Applications of non-covalent interactions 2. Biochemical behavior of drugs Binding interactions between pyruvic acid and lactate dehydrogenase. Binding interactions between enalaprilate and angiotensin-converting enzyme.
40 Applications of non-covalent interactions 3. Physicochemical properties of drugs o-hydroxybenzoic acid (Salicylic acid) p-hydroxybenzoic acid Forms intramolecular hydrogen bonding Forms intermolecular hydrogen bonding pka 3.0 pka 4.5 Less soluble in water More soluble in water Low melting point High melting point Low boiling point High boiling point Good anti-inflammatory effect Low anti-inflammatory effect
Molecular Interactions
Molecular Interactions (non-covalent) كيمياء دوائية -1 lمحمد نورالدين محمود القطان 11/3/2016 Introduction to molecular dynamics Molecular dynamics deals with the reversible molecular interaction. The reversible
More informationChimica Farmaceutica
Chimica Farmaceutica Drug Targets Why should chemicals, some of which have remarkably simple structures, have such an important effect «in such a complicated and large structure as a human being? The answer
More informationSolutions and Non-Covalent Binding Forces
Chapter 3 Solutions and Non-Covalent Binding Forces 3.1 Solvent and solution properties Molecules stick together using the following forces: dipole-dipole, dipole-induced dipole, hydrogen bond, van der
More informationOther Cells. Hormones. Viruses. Toxins. Cell. Bacteria
Other Cells Hormones Viruses Toxins Cell Bacteria ΔH < 0 reaction is exothermic, tells us nothing about the spontaneity of the reaction Δ H > 0 reaction is endothermic, tells us nothing about the spontaneity
More informationAqueous solutions. Solubility of different compounds in water
Aqueous solutions Solubility of different compounds in water The dissolution of molecules into water (in any solvent actually) causes a volume change of the solution; the size of this volume change is
More informationOrganic Chemistry. Introduction to Organic Molecules and Functional Groups
For updated version, please click on http://ocw.ump.edu.my Organic Chemistry Introduction to Organic Molecules and Functional Groups by Dr. Seema Zareen & Dr. Izan Izwan Misnon Faculty Industrial Science
More informationBiochemistry,530:,, Introduc5on,to,Structural,Biology, Autumn,Quarter,2015,
Biochemistry,530:,, Introduc5on,to,Structural,Biology, Autumn,Quarter,2015, Course,Informa5on, BIOC%530% GraduateAlevel,discussion,of,the,structure,,func5on,,and,chemistry,of,proteins,and, nucleic,acids,,control,of,enzyma5c,reac5ons.,please,see,the,course,syllabus,and,
More information2. WATER : THE SOLVENT FOR BIOCHEMICAL REACTIONS
2. WATER : THE SOLVENT FOR BIOCHEMICAL REACTIONS 2.1 Water and Polarity Both geometry and properties of molecule determine polarity Electronegativity - The tendency of an atom to attract electrons to itself
More informationBiophysics II. Hydrophobic Bio-molecules. Key points to be covered. Molecular Interactions in Bio-molecular Structures - van der Waals Interaction
Biophysics II Key points to be covered By A/Prof. Xiang Yang Liu Biophysics & Micro/nanostructures Lab Department of Physics, NUS 1. van der Waals Interaction 2. Hydrogen bond 3. Hydrophilic vs hydrophobic
More informationPatrick: An Introduction to Medicinal Chemistry 5e Chapter 01
Questions Patrick: An Introduction to Medicinal Chemistry 5e 01) Which of the following molecules is a phospholipid? a. i b. ii c. iii d. iv 02) Which of the following statements is false regarding the
More informationWater. Dr. Diala Abu-Hassan, DDS, PhD Lecture 2 MD summer Dr. Diala Abu-Hassan
Water, DDS, PhD Dr.abuhassand@gmail.com Lecture 2 MD summer 2014 1 Lecture Content Importance of water in biological systems Noncovalent interactions Water structure Water properties Water as a solvent
More information16 years ago TODAY (9/11) at 8:46, the first tower was hit at 9:03, the second tower was hit. Lecture 2 (9/11/17)
16 years ago TODAY (9/11) at 8:46, the first tower was hit at 9:03, the second tower was hit By Anthony Quintano - https://www.flickr.com/photos/quintanomedia/15071865580, CC BY 2.0, https://commons.wikimedia.org/w/index.php?curid=38538291
More informationORGANIC - EGE 5E CH. 2 - COVALENT BONDING AND CHEMICAL REACTIVITY
!! www.clutchprep.com CONCEPT: HYBRID ORBITAL THEORY The Aufbau Principle states that electrons fill orbitals in order of increasing energy. If carbon has only two unfilled orbitals, why does it like to
More informationProtein- Ligand Interactions
Protein- Ligand Interactions Outline Introduction Interm olecular bonding forces Electrostatic or ionic bonds Hydrogen bonds Van der Waals interactions Dipole- dipole and ion- dipole interactions Repulsive
More informationMolecular Geometry: VSEPR model stand for valence-shell electron-pair repulsion and predicts the 3D shape of molecules that are formed in bonding.
Molecular Geometry: VSEPR model stand for valence-shell electron-pair repulsion and predicts the 3D shape of molecules that are formed in bonding. Sigma and Pi Bonds: All single bonds are sigma(σ), that
More informationLec.1 Chemistry Of Water
Lec.1 Chemistry Of Water Biochemistry & Medicine Biochemistry can be defined as the science concerned with the chemical basis of life. Biochemistry can be described as the science concerned with the chemical
More informationIntroductory Biochemistry
Introductory Biochemistry Instructors Dr. Nafez Abu Tarboush Dr. Mamoun Ahram Recommended textbooks Biochemistry; Mary K. Campbell and Shawn O. Farrell, Brooks Cole; 6 th edition Recommended electronic
More informationChapter 2 Structure and Properties of Organic Molecules. Advanced Bonding: Review
hapter 2 Structure and Properties of Organic Molecules hemistry 231 Organic hemistry I Fall 2007 Advanced Bonding: Review Atomic Quantum Mechanics cannot explain how molecules like 4 form: Valence Bond
More informationLearning Organic Chemistry
Objective 1 Represent organic molecules with chemical formulas, expanded formulas, Lewis structures, skeletal structures. Determine shape (VSEPR), bond polarity, and molecule polarity. Identify functional
More informationLecture 2-3: Review of forces (ctd.) and elementary statistical mechanics. Contributions to protein stability
Lecture 2-3: Review of forces (ctd.) and elementary statistical mechanics. Contributions to protein stability Part I. Review of forces Covalent bonds Non-covalent Interactions Van der Waals Interactions
More informationUnit title: Chemistry for Applied Biologists
Unit title: Chemistry for Applied Biologists Unit code: K/601/0292 QCF level: 5 Credit value: 15 Aim This unit covers bonding, thermodynamics, reaction rates, equilibrium, oxidation and reduction and organic
More informationWater, water everywhere,; not a drop to drink. Consumption resulting from how environment inhabited Deforestation disrupts water cycle
Chapter 3 Water: The Matrix of Life Overview n n n Water, water everywhere,; not a drop to drink Only 3% of world s water is fresh How has this happened Consumption resulting from how environment inhabited
More informationschematic diagram; EGF binding, dimerization, phosphorylation, Grb2 binding, etc.
Lecture 1: Noncovalent Biomolecular Interactions Bioengineering and Modeling of biological processes -e.g. tissue engineering, cancer, autoimmune disease Example: RTK signaling, e.g. EGFR Growth responses
More informationPaper No. 1: ORGANIC CHEMISTRY- I (Nature of Bonding and Stereochemistry)
Subject Chemistry Paper No and Title Paper 1: ORGANIC - I (Nature of Bonding Module No and Title Module Tag CHE_P1_M10 TABLE OF CONTENTS 1. Learning Outcomes 2. Introduction 3. Non-Covalent Interactions
More informationBio-elements. Living organisms requires only 27 of the 90 common chemical elements found in the crust of the earth, to be as its essential components.
Bio-elements Living organisms requires only 27 of the 90 common chemical elements found in the crust of the earth, to be as its essential components. Most of the chemical components of living organisms
More informationChapter 1. Topic: Overview of basic principles
Chapter 1 Topic: Overview of basic principles Four major themes of biochemistry I. What are living organism made from? II. How do organism acquire and use energy? III. How does an organism maintain its
More informationChapter 2 Water: The Solvent for Biochemical Reactions
Chapter 2 Water: The Solvent for Biochemical Reactions SUMMARY Section 2.1 Water is a polar molecule, with a partial negative charge on the oxygen and partial positive charges on the hydrogens. There are
More informationConcept review: Binding equilibria
Concept review: Binding equilibria 1 Binding equilibria and association/dissociation constants 2 The binding of a protein to a ligand at equilibrium can be written as: P + L PL And so the equilibrium constant
More informationRama Abbady. Zina Smadi. Diala Abu-Hassan
1 Rama Abbady Zina Smadi Diala Abu-Hassan (00:00) (10:00) Types of Molecules in the Cell 1. Water Molecules: a large portion of the cell mass is water (70% of total cell mass). 2. Organic molecules (carbon
More information2.26 Intermolecular Forces
2.26 Intermolecular Forces Intermolecular forces are the relatively weak forces that exist between molecules. These govern the physical properties such as boiling point, melting point, solubility in solvents
More informationSaba Al Fayoumi. Tamer Barakat. Dr. Mamoun Ahram + Dr. Diala Abu-Hassan
1 Saba Al Fayoumi Tamer Barakat Dr. Mamoun Ahram + Dr. Diala Abu-Hassan What is BIOCHEMISTRY??? Biochemistry = understanding life Chemical reactions are what makes an organism (An organism is simply atoms
More informationWater. 2.1 Weak Interactions in Aqueous Sy stems Ionization of Water, Weak Acids, and Weak Bases 58
Home http://www.macmillanhighered.com/launchpad/lehninger6e... 1 of 1 1/6/2016 3:07 PM 2 Printed Page 47 Water 2.1 Weak Interactions in Aqueous Sy stems 47 2.2 Ionization of Water, Weak Acids, and Weak
More informationMULTIPLE CHOICE 2 points each
Name: Date: Score: / 110 Chapter 1/ TEST 1 OPEN BOOK KEY Organic Chemistry MULTIPLE CHOICE 2 points each 1. An atom of which element would have an electron configuration of 1s 2 2s 2 2p 6 3s 2 3p 1? a.
More informationDipole-Dipole Interactions https://www.youtube.com/watch?v=cerb1d6j4-m London Dispersion Forces https://www.youtube.com/watch?
CATALYST Lesson Plan GLE Physical Science 22. Predict the kind of bond that will form between two elements based on electronic structure and electronegativity of the elements (e.g., ionic, polar, nonpolar)
More information2.2.2 Bonding and Structure
2.2.2 Bonding and Structure Ionic Bonding Definition: Ionic bonding is the electrostatic force of attraction between oppositely charged ions formed by electron transfer. Metal atoms lose electrons to form
More informationWelcome to C341!! Chapter 1 & 2: Review of General Chemistry
Welcome to C341!! Chapter 1 & 2: Review of General Chemistry What will we do today? 1. Review of the syllabus together. 2. Discuss course structure and textbook. You will use the entire textbook between
More informationCHAPTER 2. Structure and Reactivity: Acids and Bases, Polar and Nonpolar Molecules
CHAPTER 2 Structure and Reactivity: Acids and Bases, Polar and Nonpolar Molecules 2-1 Kinetics and Thermodynamics of Simple Chemical Processes Chemical thermodynamics: Is concerned with the extent that
More informationBCMP 201 Protein biochemistry
BCMP 201 Protein biochemistry BCMP 201 Protein biochemistry with emphasis on the interrelated roles of protein structure, catalytic activity, and macromolecular interactions in biological processes. The
More informationOrganic and Biochemical Molecules. 1. Compounds composed of carbon and hydrogen are called hydrocarbons.
Organic and Biochemical Molecules 1. Compounds composed of carbon and hydrogen are called hydrocarbons. 2. A compound is said to be saturated if it contains only singly bonded carbons. Such hydrocarbons
More informationWater: The Solvent for Biochemical Reactions
Chapter 2 Water: The Solvent for Biochemical Reactions 11 SUMMARY Section 2.1 Section 2.2 Section 2.3 Section 2.4 Water is a polar molecule, with a partial negative charge on the oxygen and partial positive
More informationof its physical and chemical properties.
8.4 Molecular Shapes VSEPR Model The shape of a molecule determines many of its physical and chemical properties. Molecular l geometry (shape) can be determined with the Valence Shell Electron Pair Repulsion
More informationNAME. EXAM I I. / 36 September 25, 2000 Biochemistry I II. / 26 BICH421/621 III. / 38 TOTAL /100
EXAM I I. / 6 September 25, 2000 Biochemistry I II. / 26 BIH421/621 III. / 8 TOTAL /100 I. MULTIPLE HOIE (6 points) hoose the BEST answer to the question by circling the appropriate letter. 1. An amino
More informationIntermolecular forces
Intermolecular forces World of Chemistry, 2000 Updated: August 29, 2013 The attractions of molecules to each other are known as intermolecular forces to distinguish them from intramolecular forces, such
More informationCarbohydrate- Protein interac;ons are Cri;cal in Life and Death. Other Cells. Hormones. Viruses. Toxins. Cell. Bacteria
ther Cells Carbohydrate- Protein interac;ons are Cri;cal in Life and Death ormones Viruses Toxins Cell Bacteria ow to Model Protein- ligand interac;ons? Protein Protein Protein DNA/RNA Protein Carbohydrate
More informationUnit 1 Module 1 Forces of Attraction page 1 of 10 Various forces of attraction between molecules
Unit 1 Module 1 Forces of Attraction page 1 of 10 Various forces of attraction between molecules 1. Ionic bonds 2. Covalent bonds (also co-ordinate covalent bonds) 3. Metallic bonds 4. Van der Waals forces
More informationATOMIC BONDING Atomic Bonding
ATOMIC BONDING Atomic Bonding Primary Bonds Secondary Bonds Ionic Covalent Metallic van der Waals 1. IONIC BONDING q 11 Na & 17 Cl These two ions are attracted to eachother by the electrostatic force developed
More informationIntroduction into Biochemistry. Dr. Mamoun Ahram Lecture 1
Introduction into Biochemistry Dr. Mamoun Ahram Lecture 1 Course information Recommended textbooks Biochemistry; Mary K. Campbell and Shawn O. Farrell, Brooks Cole; 7 th edition Instructors Dr. Mamoun
More informationSAM Teacher s Guide Protein Partnering and Function
SAM Teacher s Guide Protein Partnering and Function Overview Students explore protein molecules physical and chemical characteristics and learn that these unique characteristics enable other molecules
More informationChapters 11 and 12: Intermolecular Forces of Liquids and Solids
1 Chapters 11 and 12: Intermolecular Forces of Liquids and Solids 11.1 A Molecular Comparison of Liquids and Solids The state of matter (Gas, liquid or solid) at a particular temperature and pressure depends
More informationChapter 10. Dipole Moments. Intermolecular Forces (IMF) Polar Bonds and Polar Molecules. Polar or Nonpolar Molecules?
Polar Bonds and Polar Molecules Chapter 10 Liquids, Solids, and Phase Changes Draw Lewis Structures for CCl 4 and CH 3 Cl. What s the same? What s different? 1 Polar Covalent Bonds and Dipole Moments Bonds
More informationChapter-2 (Page 22-37) Physical and Chemical Properties of Water
Chapter-2 (Page 22-37) Physical and Chemical Properties of Water Introduction About 70% of the mass of the human body is water. Water is central to biochemistry for the following reasons: 1- Biological
More informationCS 2, HCN, BeF 2 Trigonal planar. Cl 120 BF 3, AlCl 3, SO 3, NO 3-, CO NCl 3,PF 3,ClO 3,H 3 O + ...
Shape of molecules Name No bonding pairs No lone pairs Diagram Bond angle Examples linear 2 0 l Be l 180 2, S 2, N, Be 2 Trigonal planar 3 0 l l 120 B 3, All 3, S 3, N 3-, 2-3 B Tetrahedral 4 0 109.5 Sil
More informationIB Chemistry 11 Kahoot! Review Q s Bonding
IB Chemistry 11 Kahoot! Review Q s Bonding 1. What is the best description of the carbon-oxygen bond lengths in CO3 2-? A. One short and two long bonds B. One long and two short bonds C. Three bonds of
More informationMOLECULAR DRUG TARGETS
MOLECULAR DRUG TARGETS LEARNING OUTCOMES At the end of this session student shall be able to: List different types of druggable targets Describe forces involved in drug-receptor interactions Describe theories
More informationCovalent bonds can have ionic character These are polar covalent bonds
Polar Covalent Bonds: Electronegativity Covalent bonds can have ionic character These are polar covalent bonds Bonding electrons attracted more strongly by one atom than by the other Electron distribution
More information9701 CHEMISTRY. Mark schemes should be read in conjunction with the question paper and the Principal Examiner Report for Teachers.
CAMBRIDGE INTERNATIONAL EXAMINATIONS Cambridge International Advanced Level MARK SCHEME for the May/June 2015 series 9701 CHEMISTRY 9701/42 Paper 4 (Structured Questions), maximum raw mark 100 This mark
More informationIntermolecular and Intramolecular Forces. Introduction
Intermolecular and Intramolecular Forces Introduction Atoms can form stable units called molecules by sharing electrons. The formation of molecules is the result of intramolecular bonding (within the molecule)
More informationFull file at Chapter 2 Water: The Solvent for Biochemical Reactions
Chapter 2 Water: The Solvent for Biochemical Reactions SUMMARY Section 2.1 Summary Water is a polar molecule, with a partial negative charge on the oxygen and partial positive charges on the hydrogens.
More information2.26 Intermolecular Forces
2.26 Intermolecular Forces Intermolecular forces are the relatively weak forces that exist between molecules. These govern the physical properties such as boiling point, melting point, solubility in solvents
More informationA Gentle Introduction to (or Review of ) Fundamentals of Chemistry and Organic Chemistry
Wright State University CORE Scholar Computer Science and Engineering Faculty Publications Computer Science and Engineering 2003 A Gentle Introduction to (or Review of ) Fundamentals of Chemistry and Organic
More informationCHEMISTRY REVIEW FOR AP BIOLOGY Answer Key
CHEMISTRY REVIEW FOR AP BIOLOGY Answer Key Complete the following and be knowledgeable of the concepts on the first day of school. A. KINETICS = involves factors that affect the rate of a chemical reaction.
More information1. Which compound would you expect to have the lowest boiling point? A) NH 2 B) NH 2
MULTIPLE CICE QUESTINS Topic: Intermolecular forces 1. Which compound would you expect to have the lowest boiling point? A) N 2 B) N 2 C) N D) E) N Ans: : N 2 D Topic: Molecular geometry, dipole moment
More informationWhy Proteins Fold. How Proteins Fold? e - ΔG/kT. Protein Folding, Nonbonding Forces, and Free Energy
Why Proteins Fold Proteins are the action superheroes of the body. As enzymes, they make reactions go a million times faster. As versatile transport vehicles, they carry oxygen and antibodies to fight
More informationFundamental Interactions: 6 Forces
Fundamental Interactions: 6 Forces In nuclear and high-energy physics 6 fundamental forces are recognized, which describe the structure of matter. - the strong interaction - the weak interaction act inside
More informationChapter 02 The Chemical Basis of Life I: Atoms, Molecules, and Water
Chapter 02 The Chemical Basis of Life I: Atoms, Molecules, and Water Multiple Choice Questions 1. The atomic number of an atom is A. the number of protons in the atom. B. the number of neutrons in the
More informationLecture 2 and 3: Review of forces (ctd.) and elementary statistical mechanics. Contributions to protein stability
Lecture 2 and 3: Review of forces (ctd.) and elementary statistical mechanics. Contributions to protein stability Part I. Review of forces Covalent bonds Non-covalent Interactions: Van der Waals Interactions
More informationDEFINITION. The electrostatic force of attraction between oppositely charged ions
DEFINITION The electrostatic force of attraction between oppositely charged ions Usually occurs when a metal bonds with a non-metal Ions are formed by complete electron transfer from the metal atoms to
More informationChapter 1 1) Biological Molecules a) Only a small subset of the known elements are found in living systems i) Most abundant- C, N, O, and H ii) Less
Chapter 1 1) Biological Molecules a) Only a small subset of the known elements are found in living systems i) Most abundant- C, N, O, and H ii) Less abundant- Ca, P, K, S, Cl, Na, and Mg b) Cells contain
More informationChemistry. for the life and medical sciences. Mitch Fry and Elizabeth Page. second edition
hemistry for the life and medical sciences Mitch Fry and Elizabeth Page second edition ontents Preface to the second edition Preface to the first edition about the authors ix x xi 1 elements, atoms and
More informationRanjit P. Bahadur Assistant Professor Department of Biotechnology Indian Institute of Technology Kharagpur, India. 1 st November, 2013
Hydration of protein-rna recognition sites Ranjit P. Bahadur Assistant Professor Department of Biotechnology Indian Institute of Technology Kharagpur, India 1 st November, 2013 Central Dogma of life DNA
More informationThe Basics of General, Organic, and Biological Chemistry
The Basics of General, Organic, and Biological Chemistry By Ball, Hill and Scott Download PDF at https://open.umn.edu/opentextbooks/bookdetail.aspx?bookid=40 Page 5 Chapter 1 Chemistry, Matter, and Measurement
More informationDefinition: An Ionic bond is the electrostatic force of attraction between oppositely charged ions formed by electron transfer.
3 Bonding Definition An Ionic bond is the electrostatic force of attraction between oppositely charged ions formed by electron transfer. Metal atoms lose electrons to form +ve ions. on-metal atoms gain
More informationChapter 20 Carboxylic Acid Derivatives Nucleophilic Acyl Substitution
Chapter 20 Carboxylic Acid Derivatives Nucleophilic Acyl Substitution Nomenclature: In carboxylic acid chlorides, anhydrides, esters and amides, the parent is the carboxylic acid. In each case be sure
More informationCh 6 Chemical Bonding
Ch 6 Chemical Bonding What you should learn in this section (objectives): Define chemical bond Explain why most atoms form chemical bonds Describe ionic and covalent bonding Explain why most chemical bonding
More informationChemistry 343- Spring 2008
Chemistry 343- Spring 2008 27 Chapter 2- Representative Carbon Compounds: Functional Groups, Intermolecular Forces and IR Spectroscopy A. ydrocarbons: Compounds composed of only C and Four Basic Types:
More informationDownloaded from
I.I.T.Foundation - XI Chemistry MCQ #4 Time: 45 min Student's Name: Roll No.: Full Marks: 90 Chemical Bonding I. MCQ - Choose Appropriate Alternative 1. The energy required to break a chemical bond to
More informationAtoms can form stable units called molecules by sharing electrons.
Atoms can form stable units called molecules by sharing electrons. The formation of molecules is the result of intramolecular bonding (within the molecule) e.g. ionic, covalent. Forces that cause the aggregation
More informationEXPERIMENT 1: Survival Organic Chemistry: Molecular Models
EXPERIMENT 1: Survival Organic Chemistry: Molecular Models Introduction: The goal in this laboratory experience is for you to easily and quickly move between empirical formulas, molecular formulas, condensed
More informationCH1010 Exam #2 Study Guide For reference see Chemistry: An Atoms-focused Approach by Gilbert, Kirss, and Foster
CH1010 Exam #2 Study Guide For reference see Chemistry: An Atoms-focused Approach by Gilbert, Kirss, and Foster Chapter 3: Atomic Structure, Explaining the Properties of Elements Trends to know (and be
More informationWhen intermolecular forces are strong, the atoms, molecules, or ions are strongly attracted to each other, and draw closer together.
INTERMOLECULAR FORCES: THE FORCE BEHIND VARIOUS PROPERTIES WHY? Intermolecular forces are largely responsible for the properties of affinity, solubility, volatility, melting/ boiling point, and viscosity.
More information1) Which of the following represents the breaking of a noncovalent interaction? Topic: The Nature of Noncovalent Interactions
Multiple Choice Questions 1) Which of the following represents the breaking of a noncovalent interaction? A) hydrolysis of an ester B) dissolving of salt crystals C) ionization of water D) decomposition
More informationStates of Matter. Intermolecular Forces. The States of Matter. Intermolecular Forces. Intermolecular Forces
Intermolecular Forces Have studied INTRAmolecular forces the forces holding atoms together to form compounds. Now turn to forces between molecules INTERmolecular forces. Forces between molecules, between
More informationA. Reaction Mechanisms and Catalysis (1) proximity effect (2) acid-base catalysts (3) electrostatic (4) functional groups (5) structural flexibility
(P&S Ch 5; Fer Ch 2, 9; Palm Ch 10,11; Zub Ch 9) A. Reaction Mechanisms and Catalysis (1) proximity effect (2) acid-base catalysts (3) electrostatic (4) functional groups (5) structural flexibility B.
More informationLecture 2. The framework to build materials and understand properties
Lecture 2 The framework to build materials and understand properties 1 Trees are made into a solid materials/structures in an environment that consists of small molecules: CO 2, N 2, H 2 0, CH 4 O C 2.58Ǻ
More informationCh. 9 Liquids and Solids
Intermolecular Forces I. A note about gases, liquids and gases. A. Gases: very disordered, particles move fast and are far apart. B. Liquid: disordered, particles are close together but can still move.
More informationChapter 9. Chemical Bonding I: The Lewis Model. HIV-Protease. Lecture Presentation
Lecture Presentation Chapter 9 Chemical Bonding I: The Lewis Model HIV-Protease HIV-protease is a protein synthesized by the human immunodeficiency virus (HIV). This particular protein is crucial to the
More informationBiomolecules: The Molecules of Life. 1.2 Biomolecules: The Molecules of Life. Covalent bonding alternatives
Biomolecules: The Molecules of Life What property unites H, O, C and N and renders these atoms so appropriate to the chemistry of life? Answer: Their ability to form covalent bonds by electron-pair sharing.
More informationBIBC 100. Structural Biochemistry
BIBC 100 Structural Biochemistry http://classes.biology.ucsd.edu/bibc100.wi14 Papers- Dialogue with Scientists Questions: Why? How? What? So What? Dialogue Structure to explain function Knowledge Food
More informationWeek 8 Intermolecular Forces
NO CALCULATORS MAY BE USED FOR THESE QUESTIONS Questions 1-3 refer to the following list. (A) Cu (B) PH 3 (C) C (D) SO 2 (E) O 2 1. Contains instantaneous dipole moments. 2. Forms covalent network solids.
More informationAtomic Structure and Bonding. Chapter 1 Organic Chemistry, 8 th Edition John McMurry
Atomic Structure and Bonding Chapter 1 Organic Chemistry, 8 th Edition John McMurry 1 Common Elements Groups First row Second row In most organic molecules carbon is combined with relatively few elements
More informationIB Topics 4 & 14 Multiple Choice Practice
IB Topics 4 & 14 Multiple Choice Practice 1. Which compound has the shortest C N bond? CH 3NH 2 (CH 3) 3CNH 2 CH 3CN CH 3CHNH 2. Which of the following series shows increasing hydrogen bonding with water?
More informationLECTURE 2 STRUCTURE AND PROPERTIES OF ORGANIC MOLECULES
LECTURE 2 STRUCTURE AND PROPERTIES OF ORGANIC MOLECULES 1. Atomic wave functions and orbitals. LCAO. The important thing to know is that atomic orbitals are represented by wave functions, and they have
More informationChapter 25: The Chemistry of Life: Organic and Biological Chemistry
Chemistry: The Central Science Chapter 25: The Chemistry of Life: Organic and Biological Chemistry The study of carbon compounds constitutes a separate branch of chemistry known as organic chemistry The
More informationChapter 6 Chemistry of Water; Chemistry in Water
Chapter 6 Chemistry of Water; Chemistry in Water Water is one of the most remarkable and important of all chemical species. We, and all living things, are mostly water about 80% of our brain; 65% of our
More informationChemistry. Atomic and Molecular Structure
Chemistry Atomic and Molecular Structure 1. The periodic table displays the elements in increasing atomic number and shows how periodicity of the physical and chemical properties of the elements relates
More informationCHAPTER 2: Structure and Properties of Organic Molecules
1 HAPTER 2: Structure and Properties of Organic Molecules Atomic Orbitals A. What are atomic orbitals? Atomic orbitals are defined by special mathematical functions called wavefunctions-- (x, y, z). Wavefunction,
More information2. In regards to the fluid mosaic model, which of the following is TRUE?
General Biology: Exam I Sample Questions 1. How many electrons are required to fill the valence shell of a neutral atom with an atomic number of 24? a. 0 the atom is inert b. 1 c. 2 d. 4 e. 6 2. In regards
More informationBIOCHEMISTRY GUIDED NOTES - AP BIOLOGY-
BIOCHEMISTRY GUIDED NOTES - AP BIOLOGY- ELEMENTS AND COMPOUNDS - anything that has mass and takes up space. - cannot be broken down to other substances. - substance containing two or more different elements
More informationFrom Amino Acids to Proteins - in 4 Easy Steps
From Amino Acids to Proteins - in 4 Easy Steps Although protein structure appears to be overwhelmingly complex, you can provide your students with a basic understanding of how proteins fold by focusing
More informationVirtual screening for drug discovery. Markus Lill Purdue University
Virtual screening for drug discovery Markus Lill Purdue University mlill@purdue.edu Lecture material http://people.pharmacy.purdue.edu/~mlill/teaching/eidelberg/ I.1 Drug discovery Cl N Disease I.1 Drug
More information