摘要
乙型肝炎病毒(HBV)是一种主要的全球性的健康问题。干扰素α和核苷(T)IDE类似物目前是慢性HBV感染的护理标准。然而,这些抗病毒药物的疗效有限,并不会导致大多数感染患者持续的病毒学应答。现在发现虚拟筛选(VS)策略对药物发现有很强的影响,这一研究领域的力量已经被最近在临床试验中或已经在诊所中已获得的新候选药物的开发所证实。在这方面,不同的VS策略已被应用到HBV,以发现新的抑制剂中。在这篇综述中,我们总结了VS对确定和设计新的HBV干预的贡献。我们相信,在体外和体外工具的组合可以导致更快的验证新的药物靶点,这可以加速HBV药物的发现和开发工作。
关键词: 基于配体的虚拟筛选,基于结构的虚拟筛选,定量结构-活性关系,对接,乙型肝炎病毒,抑制剂,工作流程
Current Medicinal Chemistry
Title:Virtual Screening in Hepatitis B Virus Drug Discovery: Current Stateof- the-Art and Future Perspectives
Volume: 25 Issue: 23
关键词: 基于配体的虚拟筛选,基于结构的虚拟筛选,定量结构-活性关系,对接,乙型肝炎病毒,抑制剂,工作流程
摘要: Hepatitis B Virus (HBV) is a major global health burden. Interferon alpha and nucleos(t)ide analogues are currently the standard-of-care for chronic HBV infection. However, these antiviral agents have limited efficacy and do not result in a sustained virological response in the majority of infected patients. Virtual Screening (VS) strategies have now a strong impact on drug discovery, the strength of this research field has been corroborated by recent contributions in the development of novel drug candidates which are in clinical trials or which are already available in the clinics. In this context, different VS strategies have been applied to HBV in order to discover novel inhibitors. In this review, we summarize the VS efforts to identify and design novel HBV interventions. We believe that the combination of in silico and in vitro tools can lead to faster validation of novel drug targets which could accelerate the HBV drug discovery and development efforts.
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Cite this article as:
Virtual Screening in Hepatitis B Virus Drug Discovery: Current Stateof- the-Art and Future Perspectives, Current Medicinal Chemistry 2018; 25 (23) . https://dx.doi.org/10.2174/0929867325666180221141451
DOI https://dx.doi.org/10.2174/0929867325666180221141451 |
Print ISSN 0929-8673 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-533X |
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