REQUIMTE/Department of Chemistry and Biochemistry, University of Porto, 4169-007 Porto, Portugal.
Curr Top Med Chem. 2012;12(8):802-13. doi: 10.2174/156802612800166783.
Hepatitis C constitutes an infectious disease that causes severe damages to the liver, and is caused by hepatitis C virus. There is no vaccine against this type of disease and the number of people infected continues to grow worldwide. The anti-viral therapy which is currently used is a mixture of interferon alpha-2a with ribavirin, but approximately half of the patients do not respond to therapy. Therefore, it is necessary to search for new compounds with anti-hepatitis C activity. Computer-aided drug design methodologies have been vital in the discovery of candidates to drugs. This review is dedicated to the role of computer-aided drug design methodologies for the development of new anti-hepatitis C agents. In addition, we introduce a QSAR model based on substructural approaches in order to model the anti-hepatitis C activity in vivo.
丙型肝炎是一种由丙型肝炎病毒引起的传染病，可对肝脏造成严重损害。目前尚无针对这种疾病的疫苗，全球感染人数仍在不断增加。目前使用的抗病毒疗法是α-2a 干扰素与利巴韦林的混合物，但约有一半的患者对治疗没有反应。因此，有必要寻找具有抗丙型肝炎活性的新化合物。计算机辅助药物设计方法在候选药物的发现中发挥了重要作用。本文综述了计算机辅助药物设计方法在开发新型抗丙型肝炎药物中的作用。此外，我们引入了一种基于亚结构方法的定量构效关系模型，以模拟体内抗丙型肝炎活性。
