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Frontiers of Chemical Science and Engineering >> 2015, Volume 9, Issue 1 doi: 10.1007/s11705-015-1506-6

Synthesis, molecular docking and antibacterial evaluation of 2-(4-(4-aminophenylsulfonyl)phenylamino)-3-(thiophen-2-ylthio)naphthalene-1,4-dione derivatives

1. Department of Chemistry, School of Science & Humanities, Karunya University, Coimbatore-641 114, India. 2. Department of Bioinformatics, School of Biotechnology and Health sciences, Karunya University, Coimbatore-641 114, India

Available online: 2015-04-07

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Abstract

A new series of 2-(4-(4-aminophenylsulfonyl)phenylamino)-3-(thiophen-2-ylthio)naphthalene-1,4-dione derivatives ( 3a-3n) were synthesized and characterized by spectral techniques. To understand the interaction of binding sites with bacterial protein receptor, the docking study was performed by the GLIDE program and compound -(4-(4-(1,4-dioxo-3-(thiophen-2-ylthio)-1,4-dihydronaphthalen-2-ylamino)phenylsulfonyl)phenyl)-3-methylbenzamide ( 3b) exhibited good glide and E model scores of ?5.89 and ?94.90, respectively. Moreover among all the molecules studied including the standards used, namely Sparfloxacin (4.8 μg/mL) and Norfloxacin (no inhibition observed) for their antibacterial property, compound -(4-(4-(1,4-dioxo-3-(thiophen-2-ylthio)-1,4-dihydronaphthalen-2-ylamino)phenylsulfonyl)phenyl)-4-nitrobenzamide ( 3e) exhibited the lowest minimum inhibitory concentration (MIC) value of 1.3 μg/mL against .

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