Please use this identifier to cite or link to this item: https://idr.l3.nitk.ac.in/jspui/handle/123456789/12107
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dc.contributor.authorReddyrajula, R.-
dc.contributor.authorUdayakumar, D.-
dc.contributor.authorMadan, Kumar, S.-
dc.date.accessioned2020-03-31T08:38:40Z-
dc.date.available2020-03-31T08:38:40Z-
dc.date.issued2019-
dc.identifier.citationEuropean Journal of Medicinal Chemistry, 2019, Vol.168, , pp.263-282en_US
dc.identifier.urihttps://idr.nitk.ac.in/jspui/handle/123456789/12107-
dc.description.abstractThe objective of the current study is to synthesize a library consisting of four sets of phenothiazine incorporated 1,2,3-triazole compounds using molecular hybridization approach. In total, 36 new hybrid molecules were synthesized and screened for in vitro growth inhibition activity against Mycobacterium tuberculosis H37Rv strain (ATCC-27294). Among the tested compounds, nineteen compounds exhibited significant activity with MIC value 1.6 ?g/mL, which is twofold higher than the MIC value of standard first-line TB drug Pyrazinamide. In addition, all these compounds are proved to be non-toxic (with selective index > 40) against VERO cell lines. However, these compounds did not inhibit significantly the growth of Staphylococcus aureus, Escherichia coli, and Pseudomonas aeruginosa strains: the activity profile is similar to that observed for standard anti-TB drugs (isoniazid and pyrazinamide), indicating the specificity of these compounds towards the Mycobacterium tuberculosis strain. Also, we report the molecular docking studies against two target enzymes (Inh A and CYP121) to further validate the antitubercular potency of these molecules. Furthermore, prediction of in silico-ADME and pharmacokinetic parameters indicated that these compounds have good oral bioavailability. The results suggest that these phenothiazine incorporated 1,2,3-triazole compounds are a promising class of molecular entities for the development of new antitubercular leads. 2019 Elsevier Masson SASen_US
dc.titleMolecular hybridization approach for phenothiazine incorporated 1,2,3-triazole hybrids as promising antimicrobial agents: Design, synthesis, molecular docking and in silico ADME studiesen_US
dc.typeArticleen_US
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