Journal of Chemical and Pharmaceutical Research (ISSN : 0975-7384)

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Original Articles: 2017 Vol: 9 Issue: 3

Pre-Clinical Computational Screening of New 3-(2-Oxo-2H-Chromen-3-yl)-5-(p-Substituted Phenyl)-4,5-Dihydro-Pyrazole-1-Carbothioic Acid Amide as a Novel Class of Potential Antidiabetic Derivatives

Abstract

The ten different functional group of 3-(2-Oxo-2H-chromen-3-yl)-5-(p-substituted phenyl)-4,5-dihydro-pyrazole-1-carbothioic acid amide was synthesized by the reaction of 3-(3-substituted phenyl-acryloyl)-chromen-2-one with thiosemicarbazide. Pre clinical screening was done using bioinformatics structure based drug designing technique to reduce the time and money investments. Common method of Insilco screening based on structure scaffold is molecular docking; it is iterative process to virtually screen the compounds binding to the active site of the drug target protein. Among, ten compounds the compound 6 shows negative free energy binding with active site amino acid H-Bond interaction is crucial. Thus, in future this compound 6 as a drug candidate can be used for down regulation of insulin receptor through binding to PTP1B enzyme.