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In Silico Identification of Inhibitors as Antagonist for HCV Treatment

机译:在计算机上鉴定作为HCV治疗拮抗剂的抑制剂

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HCV virus is a major cause of liver damage which leads to the Hepatocellular Carcinoma and in most of the cases death of patient. NS3 protein widely recognised for its important role in replication of the virus. The current study deals with the pharmacological analysis and preclinical trials of inhibitors by using in silico techniques. The objective of this study is to screen the potential inhibitors and design a drug against NS3 protein of HCV. The 3D structure was predicted by using SWISS MODEL and further validated using Ramachandran score. COACH server was used to find out active site informations. Further docking studies were done to validate the potency of inhibitors. The results indicate that the designed ligand is a potential HCV anatagonist. The study could lead to the further development of potent HCV antagonist for the treatment of Hepatitis.
机译:HCV病毒是肝脏损害的主要原因,可导致肝细胞癌,并在大多数情况下导致患者死亡。 NS3蛋白因其在病毒复制中的重要作用而被广泛认可。本研究使用计算机模拟技术处理抑制剂的药理分析和临床前试验。这项研究的目的是筛选潜在的抑制剂并设计针对HCV的NS3蛋白的药物。通过使用SWISS MODEL预测3D结构,并使用Ramachandran评分进一步验证。 COACH服务器用于查找活动站点信息。进行了进一步的对接研究,以验证抑制剂的效力。结果表明,设计的配体是潜在的HCV拮抗剂。该研究可能会导致进一步开发用于治疗肝炎的强效HCV拮抗剂。

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