MDM: Drug design Flashcards
List in order of strongets to weakest interatomic/intermolecular interactions and their classifications
- ion - ion (electrostatic)
- Ion - dipole (electostatic)
- dipole- dipole (electrostatic)
- Hydrogen bonding (h-bonding)
- Carbon - pi and anionic pi interactions (electrostatic)
- pi-stacking (lipophillic)
- hydrophobic (lipophillic)
- Dispersions (lipohillic)
What are cationic - pi and anionic - pi interactions?
Aromatic rings are generally electron rich so can react with cations
electron - deficent aromatic rings (e.g. contain N) can interact with anions
What atoms does covalent bonds occur between?
Describe covalent bonding
non-metal atoms
the more electronegative atom aqquires a larger portion of the electron density and a aquires a parital negative charge
What is the stongets intramolecular bonding?
covalent
Describe ionic bonding
What effects this bonding?
Occurs between atoms with large differences in electronegativity values, The atom with the greater electronrgative value removes electrons from the one with less. This atom becomes negatively charged and the other positively charged
Presences of polar solvent molecules weakens interaction
Describe lipophillic interactions
- Lipophilic (van der Waals) interactions are due to the formation of transient dipoles generated by motion of electrons within covalent bonds.
- Lipophilic (van der Waals) intermolecular forces are weak, additive and increase with molar mass.
Describe electrostatic interactios
Electrostatic interactions are stronger where there is strong charge separation and weaker in presence of partial charges.
Charge delocalisation (i.e. due to resonance) weakens the resulting electrostatic interactions. Conversely, charge localisation (i.e. due to lack of resonance delocalisation) results in stronger electrostatic interactions.
Describe H-bonding
Occurs between an EN atom (e.g. O or N) and an atom with a lone pair of electrons
