Journal of Pharmacology and Toxicology1816-496x2152-100xAcademic Journals Inc.10.3923/jpt.2011.493.504SharmaM.C. SharmaSmita 5201165Antitubercular activity of 7-methyljuglone derivatives series were subjected to quantitative structure activity relationship analysis with an attempt to derive and understand a correlation between the biological activity as dependent variable and various descriptors as independent variables. Several statistical regression expressions were obtained using multiple linear regression analysis. The QSAR models were generated using 19 compounds. The predictive ability of the resulting QSAR models was evaluated employing the leave one-out method of cross validation. Several statistical regression expressions were obtained using multiple linear regression analysis. The analysis of best resulted in the following 2-D model which suggests that pIC_{50} = [-0.025] MR+[0.278] StrE+[0.028] p+[3.04459] HOMO, n = 19, r = 0.87961, r^{2} = 0.81048, variance = 0.0805, SD = 0.4324, F = 85.78. The study suggested that substitution of group at R1 and R3 position on naphthoquinones ring with hydrophobic nature and low bulkiness are favorable for the antitubercular activity in the concerned microbes. The quantitative structure activity relationship study provides important structural insights in designing of potent antitubercular agents.]]>Basso, L.A. and J.S. Blanchard,1998CS Chem Office,2002De Souza, M.V.,2006De Souza, M.V.,2006Dye, C., B.G. Williams, M.A. Espinal and M.C. Raviglions,2002Dye, C. and B.G. Williams,2000Desai, B., D. Sureja, Y. Naliapara, A. Shah and A.K. Saxena,2001El-Sayed, K.A., P. Bartyzel, X.Y. Shen, T.L. Perry, J.K. Zjawiony and M.T. Hamann,2000Fujita, T. and T. Ban,1971Gupta, A.K., B.M. Arockia and S.G. Kaskhedikar,2004Gupta, S.P. and S. Kumaran,2006Chaudhary, G., C. Karthikeyan, N.S. Hari Narayana Moorthy and T. Piyush,2008Gokhale, V.M. and V.M. Kulkarni,2000Ghosh, P. and M.C. Bagchi,2010Manvar, A.T., R.R.S. Pissurlenkar, V.R. Virsodia, K.D. Upadhyay and D.R. Manvar et al.,2010in vitro antitubercular activity and 3D-QSAR study of 1,4-dihydropyridines.]]>Heym, B. and S.T. Cole,1997Mycobacterium tuberculosis.]]>Hansch, C. and A. Leo,1979Karthikeyan, C., D. Santosh, N.S.H.N. Moorthy and P. Trivedi,2007Karthikeyan, C., P.M. Kumar, N.S.H.N. Moorthy, S.K. Shrivastava and T. Piyush,2006Kubinyi, H.,1993Kier, L.B.,1971Mahapatra, A., S.P.N. Mativandlela, B. Binneman, P.B. Fourie and C.J. Hamilton et al.,2007Mycobacterium tuberculosis and as subversive substrates for mycothiol disulfide reductase.]]>Moorthy, N.S.H.N. and P. Trivedi,2006Narute, A.S., P.B. Khedekar and K.P. Bhusari,2008Pablos-Mendez, A., D.K. Gowda and T.R. Frieden,2002Petrini, B. and S. Hoffner,1999Sharma, S., M.C. Sharma and A.D. Sharma,2010Sharma, M.C. and S. Sharma,2010Sivakumar, P.M., S.P. Seenivasan, V. Kumar and M. Doble,2007Sivakumar, P.M., S.P. Seenivasan, V. Kumar and M. Doble,2010Sivakumar, P.S., V. Kumar, S.P. Seenivasan, J. Mohanapriya and M. Doble,2010Tomioka, H.,2002Telenti, A. and M. Iseman,2000WHO.,1995