Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry
ISSN: 0975-413X
Abstract
QSAR Analysis on 2-(4-(Piperidin-1-yl)piperidin-1-yl)-6-Substituted Thiazolo[4,5-B]Pyridines as H3 Receptor Antagonists
Author(s): Sanmati K. Jain, Lokesh Sahu, Rahul Jain, Arvind K. YadavQuantitative structure activity relationship (QSAR) study was performed on a series of 2-(4-(piperidin-1- yl)piperidin-1-yl)-6-substituted thiazolo[4,5-b]pyridines possessing H3 receptor antagonistic activity for establishing quantitative relationship between biological activity and their physicochemical/ structural properties. Several statistical regression expressions were obtained using partial least squares regression (PLSR) analysis. Three statistical significant models were generated [r2 = 0.8130, q2 = 0.6103, pred_r2 = 0.9818; r2 = 0.8166, q2 = 0.6213, pred_r2 = 0.9421 and r2 = 0.8164, q2 = 0.6392, pred_r2 = 0.9399 for model 1, 2 and 3 respectively] indicating that biological activity is influenced by the descriptors T_C_N_5, T_N_O_2, XKMostHydrophobicHydrophilicDistance and XAHydrophilicArea.
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