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Updated: Jun 8, 2026

Use of Viral Entry Assays and Molecular Docking Analysis for the Identification of Antiviral Candidates against Coxsackievirus A16
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评估类似药物化合物的结合潜力和稳定性与水病毒VP39蛋白质使用分子动力学模拟和自由能量分析

Ahmed M Hassan1, Hattan S Gattan1,2, Arwa A Faizo1,2

  • 1Special Infectious Agents Unit-BSL3, King Fahd Medical Research Center, King Abdulaziz University, Jeddah 21362, Saudi Arabia.

Pharmaceuticals (Basel, Switzerland)
|January 8, 2025
PubMed
概括

计算分析发现了两个有前途的化合物 (1和2),它们与病毒 (MPXV) VP39蛋白具有很高的结合亲和力. 这些化合物显示出作为治疗水的新型抗病毒剂的潜力.

关键词:
这是一种VP39蛋白质.抗病毒药物是一种抗病毒药物.计算机化药物发现.分子动力学模拟,分子动力学模拟的水是的水.

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Protein-drug binding refers to the interaction between drugs and proteins within the body. This binding process can occur intracellularly, involving drug interactions with enzymes or receptors within cells, or extracellularly, involving plasma proteins in the blood.
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