Synthesis, characterization, biological activity, and 3D-QSAR studies on some novel class of pyrrole derivatives as antitubercular agents

• DOI: 10.1007/s00044-013-0709-y
• Publication Date: 2013-08-24T10:54:44Z
• Authors: Shrinivas D. Joshi; Uttam A. More; Sheshagiri R. Dixit; Haresh H. Korat; Tejraj M. Aminabhavi; Aravind M. Badiger
• Keywords: Pyrrole

A new series of pyrrole derivatives have been designed, synthesized, and their structures have been elucidated along with the evaluation of antitubercular activity against Mycobacterium tuberculosis H37Rv using the microplate alamar blue assay method and antibacterial activity against Staphylococcus aureus, Bacillus subtilis, Klebsiella pneumoniae, and Escherichia coli by broth micro-dilution assay method. Structural activity relationships and 3D-QSAR analysis have been carried out by Topomer Comparative Molecular Field Analysis (CoMFA). Training set of 42 and test set of 8 active compounds were used to develop the method that showed cross-validated correlation coefficient (q 2) of 0.815, standard error of prediction of 0.36, non-cross-validated correlation coefficient (r 2) of 0.973, and standard error of estimate of 0.14 with six components. Synthesis; spectral and 3D-QSAR studies; and antibacterial, antitubercular, and cytotoxic activities of a novel series of pyrrole derivatives are described.