bonding and interactions Flashcards
what are the main types of bonding involved in drug binding interactions?
electrostatic, hydrogen bonding, van der waals, dipole-dipole and ion dipole, hydrophobic interactions and repulsive forces
what are electrostatic interactions and what influences their strength?
ionic interactions between groups with opposite charges their strength depends on distance, ph and salt concentration and they are stronger in a hydrophobic environment
describe hydrogen bonding in drug interactions ?
it involves an electron rich atom and electron deficient hydrogen atom bonded to an electronegative atom, creating a delta positive charge on the hydrogen
what is the optimal angle for hydrogen bond formation?
the optimal angle is 180 but it can vary from 130 to 90 degrees
why are sulfur atoms considered poor hydrogen bond acceptors
their lone pair electrons are in a diffuse 3rd shell making them less effective at accepting hydrogen bonds
what type of interactions are van der waals forces ?
weak forces that occur in hydrophobic regions but can have significant cumulative effects
what are dipole dipole interactions?
interactions between polar molecules with permanent dipole moments, requiring correct orientations for stronger binding
what is the difference between dipole-dipole and ion dipole interactions?
ion dipole interactions involve an ionic charge interacting with a dipole while dipole dipole interactions are between two permanent dipoles
how does water affect drug binding?
water can solvate molecules interfering with binding. energy needed to remove water must be compensated by the energy gained from binding interactions.
what happens when non polar regions interact hydrophobically?
water is expelled from between non polar regions, increasing binding energy as water becomes less ordered.
why are repulsive interactions important in drug binding?
they prevent molecules from binding too tightly, allowing them to eventually leave the binding site
what is the order of interaction intensity over distance?
electrostatic , ion dipole, dipole dipole and van der waals
what role do electrostatic and ion dipole interactions play in drug binding?
they are crucial for initial attraction while dipole- dipole, hydrogen bonding and van der waals interactions maintain the position