Finding Hepatitis C Virus (HCV) NB5B polymerase inhibitors based on Noncompetitive and Nonnucleoside inhibitor binding site by virtual high throughput docking

碩士 === 國立清華大學 === 分子醫學研究所 === 93 === It is estimated that there are 170 million chronically infected HCV carriers worldwide(2%~3% of the global population). Within 20 years of infection, about 4~5% of them will develop cirrhosis and hepatocellular carcinoma, often resulting in death. Current HCV the...

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Main Author: 盧俊龍
Other Authors: 林志侯
Format: Others
Language:zh-TW
Published: 2005
Online Access:http://ndltd.ncl.edu.tw/handle/14689027696847956242
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spelling ndltd-TW-093NTHU55380112015-10-13T11:15:49Z http://ndltd.ncl.edu.tw/handle/14689027696847956242 Finding Hepatitis C Virus (HCV) NB5B polymerase inhibitors based on Noncompetitive and Nonnucleoside inhibitor binding site by virtual high throughput docking 以非競爭和非核甘酸型抑制劑為基礎透過虛擬高速藥物分子對接尋找C型肝炎病毒NS5B之抑制劑 盧俊龍 碩士 國立清華大學 分子醫學研究所 93 It is estimated that there are 170 million chronically infected HCV carriers worldwide(2%~3% of the global population). Within 20 years of infection, about 4~5% of them will develop cirrhosis and hepatocellular carcinoma, often resulting in death. Current HCV therapy consists of injectable, α-interferon used alone or in combination with ribavirin. Although effective in certain patient populations, interferon therapy has several limitations including high cost and significant side effects that often require does adjustment or discontinuation of therapy. Moreover, while not will understood, interferon therapy has been shown to be most effective against genotype 2 and 3 HCV infections and least effective against genotype 1 infections. The lack of an effective and well-tolerated treatment has therefore spurred intense research efforts to develop affordable, oral and novel anti-HCV agents. We chose HCV genome type 1b as a drug target using the approach of virtual docking screening to find the potential drug candidates both of noncompetitive and nonnucleoside inhibitor binding site. According to the dimension of noncompetitive inhibitor, we had finished the task of drug screening, and screened out one hundred compounds whose ligands were different or not exactly different on orientation and binding site. Besides, we sorted those compounds from the best to the worst by the method of energy score and the numbers of pharmacophore to select the first fifty good ones and secondary fifty good ones by the calculating result. All above as we had mentioned are in the procedure of biotest. In another portion,the dimension of nonnucleoside inhibitor, we had also chosen one hundred compounds whose ligands were different or not exactly different on orientation and binding site to perform the biotest. 林志侯 2005 學位論文 ; thesis 59 zh-TW
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language zh-TW
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description 碩士 === 國立清華大學 === 分子醫學研究所 === 93 === It is estimated that there are 170 million chronically infected HCV carriers worldwide(2%~3% of the global population). Within 20 years of infection, about 4~5% of them will develop cirrhosis and hepatocellular carcinoma, often resulting in death. Current HCV therapy consists of injectable, α-interferon used alone or in combination with ribavirin. Although effective in certain patient populations, interferon therapy has several limitations including high cost and significant side effects that often require does adjustment or discontinuation of therapy. Moreover, while not will understood, interferon therapy has been shown to be most effective against genotype 2 and 3 HCV infections and least effective against genotype 1 infections. The lack of an effective and well-tolerated treatment has therefore spurred intense research efforts to develop affordable, oral and novel anti-HCV agents. We chose HCV genome type 1b as a drug target using the approach of virtual docking screening to find the potential drug candidates both of noncompetitive and nonnucleoside inhibitor binding site. According to the dimension of noncompetitive inhibitor, we had finished the task of drug screening, and screened out one hundred compounds whose ligands were different or not exactly different on orientation and binding site. Besides, we sorted those compounds from the best to the worst by the method of energy score and the numbers of pharmacophore to select the first fifty good ones and secondary fifty good ones by the calculating result. All above as we had mentioned are in the procedure of biotest. In another portion,the dimension of nonnucleoside inhibitor, we had also chosen one hundred compounds whose ligands were different or not exactly different on orientation and binding site to perform the biotest.
author2 林志侯
author_facet 林志侯
盧俊龍
author 盧俊龍
spellingShingle 盧俊龍
Finding Hepatitis C Virus (HCV) NB5B polymerase inhibitors based on Noncompetitive and Nonnucleoside inhibitor binding site by virtual high throughput docking
author_sort 盧俊龍
title Finding Hepatitis C Virus (HCV) NB5B polymerase inhibitors based on Noncompetitive and Nonnucleoside inhibitor binding site by virtual high throughput docking
title_short Finding Hepatitis C Virus (HCV) NB5B polymerase inhibitors based on Noncompetitive and Nonnucleoside inhibitor binding site by virtual high throughput docking
title_full Finding Hepatitis C Virus (HCV) NB5B polymerase inhibitors based on Noncompetitive and Nonnucleoside inhibitor binding site by virtual high throughput docking
title_fullStr Finding Hepatitis C Virus (HCV) NB5B polymerase inhibitors based on Noncompetitive and Nonnucleoside inhibitor binding site by virtual high throughput docking
title_full_unstemmed Finding Hepatitis C Virus (HCV) NB5B polymerase inhibitors based on Noncompetitive and Nonnucleoside inhibitor binding site by virtual high throughput docking
title_sort finding hepatitis c virus (hcv) nb5b polymerase inhibitors based on noncompetitive and nonnucleoside inhibitor binding site by virtual high throughput docking
publishDate 2005
url http://ndltd.ncl.edu.tw/handle/14689027696847956242
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