NDLI: Exploring the Receptor-Based Virtual Screening Study of the Aromatic Substituents for the Hepatitis C Virus NS5B Polymerase by Docking and Scoring

Content Provider	IEEE Xplore Digital Library
Author	Po-Yuan Chen Wei-Tse Hsu Mien-De Jhuo Tzu-Hurng Cheng
Copyright Year	2009
Abstract	HCV (Hepatitis C virus) that the NS3protease and NS5B RNA-dependent RNApolymerase (RbRp) which the enzymes for virtualreplication. HCV plays an important role that tocause the chronic and liver diseases. The computeraided drug design (CADD) that is the new methodto design the new molecules as like the drugs fromthe potent compounds. We took the program ofDiscovery Studio 2.0 and the scoring function in thisthat the Dock Score, -PLP1, -PLP2, -PMF, and the Jain score in the program. The compound 26a thathave the highest biological activity (IC50), but thecompound didn’t have the highest score in thestudy. In the scoring function of Dock Score, thecompound 13a has the highest score value. Thecompound 19a has the highest scoring value in theboth score functions of –PMF and Jain. Thecompound 20 showed the highest value in thescoring functions that the –PLP1 and –PLP2. So thede novo evolution in the program that we want todesign the HCV NS5B inhibitor that has higherdocking scoring value than the potent compound in the future.
Starting Page	284
Ending Page	289
File Size	532169
Page Count	6
File Format	PDF
ISBN	9780769536569
DOI	10.1109/BIBE.2009.79
Language	English
Publisher	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Publisher Date	2009-06-22
Publisher Place	Taiwan
Access Restriction	Subscribed
Rights Holder	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Subject Keyword	Liver diseases Polymers Drugs RNA Design automation Biological information theory Inhibitors Proteins Bioinformatics Biochemistry Docking HCV
Content Type	Text
Resource Type	Article

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