了解L-FMAU（克来夫定）抗乙型肝炎病毒的独特机制：分子动力学研究
Understanding the unique mechanism of L-FMAU (clevudine) against hepatitis B virus: molecular dynamics studies.
作者信息
Chong Youhoon, Chu Chung K
机构信息
Department of Pharmaceutical and Biomedical Sciences, College of Pharmacy, The University of Georgia, Athens, GA 30602, USA.
出版信息
Bioorg Med Chem Lett. 2002 Dec 2;12(23):3459-62. doi: 10.1016/s0960-894x(02)00747-3.
The molecular dynamics simulation of HBV-polymerase.DNA.L-FMAU-TP complex demonstrated that L-FMAU-TP may not serve as a substrate for HBV polymerase because the appropriate binding of L-FMAU-TP to the active site of HBV polymerase may not take place without the unfavorable conformational adjustment, which prevents L-FMAU-TP from being incorporated into the growing viral DNA chain.
乙肝病毒聚合酶、DNA、L-FMAU-TP复合物的分子动力学模拟表明，L-FMAU-TP可能无法作为乙肝病毒聚合酶的底物，因为在没有不利的构象调整的情况下，L-FMAU-TP可能无法与乙肝病毒聚合酶的活性位点进行适当结合，这使得L-FMAU-TP无法掺入正在延长的病毒DNA链中。
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