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INTERNATIONAL JOURNAL OF PHARMACEUTICAL RESEARCH

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IJPR included in UGC-Approved List of Journals - Ref. No. is SL. No. 4812 & J. No. 63703

Published by : Advanced Scientific Research
ISSN
0975-2366
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IJPR 9[3] July - September 2017 Special Issue

July - September 9[3] 2017

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INSILICO DESIGN AND DISCOVERY OF SOME NOVEL HYBRID AMINO ACID ANALOGS FOR THEIR HEPATOPROTECTIVE ACTIVITY

Author: SUSHIL BURLE, S. SAMANTA, SUSHIL BURLE
Abstract: Hepatotoxicity, as injury to the liver that is connected with impaired liver function caused by contact with a drug or noninfectious agent. This includes the Natural chemical, chemical agents used in Industry and laboratories and herbal remedies can induce hepatotoxicity. Today near about 900 drugs have been identified which causes liver injury. Drug related hepatotoxicity is an important cause for withdrawing new drugs from the market. In this study designing of hybrid amino acid and peptide analogue of Taurine were carried out .All structures of the compound were drawn by using Chem. Office 10. All compounds were docked to crystal structures of Cytochrome P 450 system having CYP2E1 enzymes with PDB ID 3GPH using Flex X 2.1.3 of biosolve IT software to understand the interaction of ligands with different receptors. The compound SSSB 16 and SSSB 15 shows a very good score as compared to reference compound. Evaluation of ADME properties using Qik prop3.0 revealed that all compounds possess good physico-chemical properties. Insilico prediction of LD50 values in rats by oral administration was performed using a Pro Tox webserver. Additionally the synthesis and its evaluation of hepatoprotective activity is required to be performed to prove that these compounds are effective against hepatotoxicity as predicted by computer aided drug design.
Keyword: Hepatotoxicity, Taurine, Peptide, FlexX Docking, CYP2E1, 3GPH
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0.12
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