Premium
Receptor Mapping by Comparative Molecular Field Analysis of Phospholipase A 2 Inhibitors
Author(s) -
Deng Qiaolin,
Cao Bin,
Lai Luhua
Publication year - 1995
Publication title -
journal of the chinese chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.329
H-Index - 45
eISSN - 2192-6549
pISSN - 0009-4536
DOI - 10.1002/jccs.199500098
Subject(s) - chemistry , phospholipase , receptor , stereochemistry , enzyme , phospholipase c , molecular model , steric effects , computational biology , biochemistry , biology
In structure‐based design of phospholipase A 2 inhibitors, comparative molecular field analysis is performed on known phospholipase A 2 (PLA 2 ) inhibitors to build a pseudo‐receptor map of the enzyme, which is compared to maps from probe searches with proton and methane. The pseudo‐receptor map resembled in steric properties to the map from a probe search. Hence known ligands can be used to deduce the shape and chemical properties of the binding site of a receptor. Useful information for drug design can be obtained from such receptor mapping.