Abstract
The present study was attempted to predict the antimycobacterial activity of 4-(5-substituted-1,3,4-oxadiazol-2-yl)pyridines. The QSAR studies revealed that topological molecular descriptors best described the antimycobacterial activity of 4-(5-substituted-1,3,4-oxadiazol-2-yl)pyridines. The mt-QSAR models depicted that valence first order molecular connectivity index (1χv) governed the overall antimycobacterial activity of 4-(5-substituted-1,3,4-oxadiazol-2-yl)pyridines. The validation of QSAR models using an external test set revealed that these models can be used for the prediction of antimycobacterial activity of newer 1,3,4-oxadiazole derivatives.
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The author (VJ) is thankful to Department of Technical Education, Government of Haryana (India) for providing Sir C.V. Raman fellowship to carryout research project.
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Judge, V., Narasimhan, B. & Ahuja, M. Topological models for the prediction of antimycobacterial activity of 4-(5-substituted-1,3,4-oxadiazol-2-yl)pyridines. Med Chem Res 21, 1363–1375 (2012). https://doi.org/10.1007/s00044-011-9645-x
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DOI: https://doi.org/10.1007/s00044-011-9645-x