Conventional-QSAR analysis on 1-H, indole,2,3-dione derivatives as selective carboxylesterase inhibitor

2^nd International Conference on Medicinal Chemistry & Computer Aided Drug Designing

October 15-17, 2013 Hampton Inn Tropicana, Las Vegas, NV, USA

Mishra Achal and Jain Sanmati Kumar

Accepted Abstracts: Med chem

Abstract :

A quantitative structure activity relationship study was performed on a series of 1-H Indole2-3, dione derivatives possessing selective carboxylesterases inhibitory activity for establishing quantitative relationship between biological activity and their physicochemical / structural properties. The statistical regression expressions were obtained using partial least squares regression (PLSR) analysis. Two statistical significant models were generated (r2=0.9450, r2=0.8755) indicating that biological activity is influenced by the descriptors, T_N_Cl_6, T_2_Cl_6, T_2_Cl_6, T_2_O_7, SdssCE-index, slogp etc. Key words: 2D-QSAR, Selective carboxylesterases inihibitors, 1-H,indole,2-3 dione derivative.