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Quantitative structural–activity relationship (QSAR) study for antimycobacterial activities of pyrazine containing thiazoline and thiazolidinone derivatives

M. C. SHARMA1,* , S. SHARMA2

Affiliation

  1. School of Pharmacy, Devi Ahilya Vishwavidyalaya, Indore (M.P)-452 001, India
  2. Department of Chemistry Yadhunath Mahavidyalya Bhind (M.P)- 477001 India

Abstract

A set of 70 compounds pyrazine containing thiazoline and thiazolidinone derivatives against antimycobacterial activities. was subjected to 2D studies using various combination of descriptors.2D QSAR studies through Multiple Linear Regression (MLR) and Partial Least Statistical (PLS) led to five statistically significant models for antimycobacterial activities (all with r2>0.90, F>> tabulated value, and chance correlation <0.001) having acceptable statistical quality and predictive potential as indicated by the value of cross validated squared coefficient (q2>0.80). Alignment independent descriptors (H-Donor Count, T_Cl_Cl_6, H-AcceptorCount, XlogP, XKHydrophobicArea, T_T_O_2, Polarizability AHC, Polar Surface Area (Polar Surface Area excluding P and S), were found to have significant correlation with biological activity..

Keywords

QSAR, Pyrazine, Antimycobacterial activities.

Citation

M. C. SHARMA, S. SHARMA, Quantitative structural–activity relationship (QSAR) study for antimycobacterial activities of pyrazine containing thiazoline and thiazolidinone derivatives, Optoelectronics and Advanced Materials - Rapid Communications, 4, 3, March 2010, pp.415-421 (2010).

Submitted at: Feb. 12, 2010

Accepted at: March 12, 2010