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Updated: Jun 13, 2026

Use of Viral Entry Assays and Molecular Docking Analysis for the Identification of Antiviral Candidates against Coxsackievirus A16
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针对爱斯坦-巴尔病毒的候选药物的再利用:虚拟查,对接计算,分子动力学和量子力学研究

Mahmoud A A Ibrahim1,2, Alaa M A Hassan1, Eslam A R Mohamed1

  • 1Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, Egypt.

PloS one
|November 15, 2024
PubMed
概括

这项研究确定了潜在的新药物来抑制埃普斯坦-巴尔核抗原1 (EBNA1),这是治疗EBV相关癌症的关键标. 像贝兹特拉米德和格莱布里德这样的有希望的候选物显示出强烈的结合亲和力,为进一步研究铺平了道路.

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Drug Discovery: Overview01:26

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Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...