THE QSAR RESEARCH ON AURONE INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE BY APPLYING MULTI-DIMENSIONAL SCALING METHOD
THE QSAR RESEARCH ON AURONE INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE BY APPLYING MULTI-DIMENSIONAL SCALING METHOD作者机构：School of StatisticsCentral University of Financial and Economics Beijing 100081 P. R. China Supercomputing CenterComputer Network Information Center Chinese Academy of Sciences Beijing 100190 P. R. China
出 版 物：《International Journal of Biomathematics》 (生物数学学报（英文版）)
年 卷 期：2013年第6卷第1期
页 面：23-39页
核心收录：
学科分类：0710[理学-生物学] 1007[医学-药学(可授医学、理学学位)] 100705[医学-微生物与生化药学] 07[理学] 071007[理学-遗传学] 0701[理学-数学] 0812[工学-计算机科学与技术（可授工学、理学学位）] 10[医学]
基 金：Foundation of Academic Discipline Program Ministry of Science and Technology of the People's Republic of China, MOST, (2009AA01A130) Central University of Finance and Economics, CUFE
主 题：HCV inhibitor structure-activity relationship MDS method PROXSCAL algorithm.
摘 要：In this paper, we take naturally occurring 2-benzylidenebenzofuran-3-ones （aurones） inhibitors of hepatitis C virus （HCV） RNA-dependent RNA polymerase （RdRp） as an example to study the Multi-dimensional scaling （MDS） method for structure-activity relationship. By analyzing training set molecules, our MDS method combined with a PROXSCAL algorithm can predict inhibitory activity of most compounds correctly. Thus, a new sample＇s activity can be estimated and judged conveniently, and whether it should be synthesized can be known. The MDS method is applicable to optimize the structure for a compound and to provide suggestions for drug design.
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