Computer aids in drug design--highlights.
An outline of some procedures used for computer aided drug design has been given. The emphasis is on lead generation, both primary and secondary, and on current lead optimization processes which rely on an appreciation of ligand-receptor interactions. The areas covered include techniques for structure based drug design and lead optimization, ligand-receptor interaction studies using molecular surfaces and docking, extraction of pharmacophore pattern to obtain new leads, expert system application etc.
Ghoshal
N
N
Medicinal Chemistry Division, Indian Institute of Chemical Biology, Calcutta, India.
Achari
B
B
Ghoshal
T K
TK
D017076:Computer-Aided Design; D015195:Drug Design