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Updated: May 2, 2026

Multi-target Parallel Processing Approach for Gene-to-structure Determination of the Influenza Polymerase PB2 Subunit
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Published on: June 28, 2013

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抗感染化合物的重新定位对抗水病毒核心氨酸蛋白酶:一个分子动力学研究

Ali A Rabaan1,2,3, Fatimah S Alshahrani4,5, Mohammed Garout6

  • 1Molecular Diagnostic Laboratory, Johns Hopkins Aramco Healthcare, 31311, Dhahran, Saudi Arabia. ali.rabaan@jhah.com.

Molecular diversity
|April 23, 2024
PubMed
概括

这项研究使用in silico方法选了1395种化合物,以确定水病毒 (MPXV) 核心氨酸蛋白酶 (CCP) 的潜在抑制剂. 两种化合物,SC75741和氨基甘油酸盐,显示稳定的结合和潜在的抑制活性对MPXV-CCP.

关键词:
半氨酸蛋白酶是一种囊蛋白酶.药物发现 药物发现分子动力学分子动力学麻疹病毒的病毒.

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