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Application of Bioinformatics for the search of novel anti-viral therapies: Rational design of anti-herpes agents

机译:生物信息学在寻找新型抗病毒治疗中的应用:抗疱疹药物的合理设计

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摘要

Human herpes viruses (HHV) are leading cause of human viral diseases, second after influenza and cold viruses. They cause overt disease or can remain silent for many years waiting for reactivation. HHV are associated to several side-effects or co-conditions like Alzheimer's disease, cholangiocarcinoma and pancreatic cancer, and with the time, they have become resistant to the available commercial drugs like acyclovir, whose final target is the DNApolymerase. For this reason there is an increasing interest for the search of novel compounds against herpes viruses. In this sense, Bioinformatics is determinant for a better understanding of the mechanisms of resistance, and also for the search of new biomolecular targets for the design of more potent and versatile anti-herpes agents. This review is focused on the role of Bioinformatics toward the design of compounds with anti-herpetic activity and also we propose a model based fragment descriptors for the design, search and prediction of anti-herpes compounds through the inhibition of 5 targets belonging to different herpes viruses.
机译:人类疱疹病毒(HHV)是人类病毒性疾病的主要原因,仅次于流感和感冒病毒。它们会导致明显的疾病,或者可以保持沉默多年以等待重新激活。 HHV与阿尔茨海默氏病,胆管癌和胰腺癌等多种副作用或共病相关,并且随着时间的推移,它们已对诸如阿昔洛韦等市售药物产生了耐药性,后者的最终靶标是DNA聚合酶。由于这个原因,人们越来越需要寻找针对疱疹病毒的新型化合物。从这个意义上说,生物信息学是更好地理解抗药性机制的决定因素,也是寻找新的生物分子靶标以设计更有效和多功能的抗疱疹药物的决定因素。这篇综述着重于生物信息学在具有抗疱疹活性的化合物设计中的作用,并且我们提出了一种基于模型的片段描述符,通过抑制属于不同疱疹的5个靶标来设计,搜索和预测抗疱疹化合物病毒。

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