QSAR ANALYSIS OF INDOLE ANALOGS AS MONOAMINE-OXIDASE INHIBITORS

The quantitative structure-activity relationship (OSAR) analysis with comparative molecular field analysis (CoMFA) of indole derivatives-mon oamine oxidase (MAO) inhibitors were done. The pharmacophore model inc luded four features: two hydrophobic rings, one donor atom, and one ac ceptor site. The predictive values (cross-validated r(2)) of OSAR anal ysis for the inhibition of MAO-A and MAO-B were 0.743 and 0.603, respe ctively. The contributions of steric and electrostatic fields in the i nteraction between inhibitors and enzymes were equal. The three-dimens ional arrangement of these fields for MAO-A and MAO-B suggests that st ructures of active site for both enzymes are considerably differed fro m each other.