An Approach to Computer Aided Drug Design of some Bioactive Cinnamoyl Hydrazones, In Silico and Docking Studies as Possible COX-2 Selective Inhibitors
Received Date: Jul 21, 2016 / Accepted Date: Aug 02, 2016 / Published Date: Aug 09, 2016
Abstract
Recently structural analogue-based drug discovery has become an important tool for designing more potent drugs. This study uses SAR, pharmacophore study and structural analogue-based novel drugs to design selective inhibitor molecules using internet-based tools. Substituted acyl hydrazones are known for wide variety of biological activities, such as analgesic, anti–inflammatory, anti-microbial, anti-convulsant, anti-platelet, anti-tubercular, antiviral, schistomiasis and anti-tumoral activities. In the last decade several cinnamic acid derivatives were reported as potent lipoxygenase inhibitors, antioxidants and anti-inflammatory agents. We found it interesting to combine these particular molecules and design cinnamoyl hydrazones, a series of N-[(1E)-2-substituted phenyl-1-{N'-[(1E)-phenyl methylidene] hydrazine carbonyl} eth-1-en-1-yl] benzamides. The designed compounds were predicted for their drug likeness and oral bioavailability. Selected compounds were docked with COX-2 enzyme and found that they were showing similar interactions as that of SC-558, 1000 time selective standard COX-2 inhibitor.
Keywords: Hydrazones, Cinnamoyl, COX-2, Docking, Oral bioavailabity, Docking studies
Citation: Banu BH, Rajitha G, Bharathi K (2016) An Approach to Computer Aided Drug Design of some Bioactive Cinnamoyl Hydrazones, In Silico and Docking Studies as Possible COX-2 Selective Inhibitors. J Biotechnol Biomater 6:240. Doi: 10.4172/2155-952X.1000240
Copyright: © 2016 Banu BH, et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
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