PCOL3012 Lecture Notes - Lecture 3: Hydrogen Bond, Biphenyl, Regression Analysis
Document Summary
Lecture 3- qsar (quantitative structure activity relationships) designing drugs. Is the ensemble of steric and electronic features that is necessary to ensure the optimal supramolecular interactions with a specific biological target structure and to trigger (or to block) its biological response. Alternate definition: the atoms and functional groups required for a specific pharmacological activity, and their relative positions in space, particular binding groups required for target binding and desired activity as well as their position in space (geometry) Observation indicated that usually 3 or 4 binding groups in the correct position are sufficient to give a drug reasonably high affinity for a receptor. For an agonist the binding does not need to be as strong as it would in the case of an antagonist that needs very strong binding in order to block activity. Drugs active if: appropriate binding groups; which are, in correct position, molecule = right size (not too large, extra groups fit into pockets at the receptor.
