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QSAR analysis of structurally similar 1, 3, 4 - oxadiazoles as enzyme tyrosinase inhibitors.

Author(s): Ramesh Sawant*, Prashant Lanke, Ganesh Jadhav, Lokesh Bhangale

Journal: Drug Invention Today
ISSN 0975-7619

Volume: 2;
Issue: 2;
Start page: 169;
Date: 2010;
Original page

Keywords: 2D | 3D-QSAR | 1 | 3 | 4-oxadiazoles | tyrosinase inhibitors.

A series of structurally similar 1, 3, 4-oxadiazoles with enzyme tyrosinase inhibitor activity have been subjected for QSAR analysis using V life MDS 3.5 software. The compounds were divided into training and test set. Best QSAR models were selected on the basis of various statistical parameters like square correlation coefficient (r2), cross validated square correlation coefficient (q2), standard error of estimation (SE) and sequential Fischer test (F). 2D QSAR study reveals that tyrosinase inhibitor activity is governed by Alignment Independent (AI) descriptors whereas as per 3D QSAR studies a new compounds, with more electronegative and less bulky substituent, from this series could have better tyrosinase inhibitor activity.
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