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Updated: Jul 5, 2026

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
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Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors

Published on: May 9, 2025

通过比较分子动力学模拟组合和EPR实验来探测HIV-1蛋白酶的溶液结构

Fangyu Ding1, Melinda Layten, Carlos Simmerling

  • 1Department of Chemistry and Graduate Program in Molecular and Cellular Biology, Stony Brook University, Stony Brook, New York 11794, USA.

Journal of the American Chemical Society
|May 16, 2008
PubMed
概括

了解HIV蛋白酶的动态是对抗抗药物耐药性的关键. 这项研究将EPR光谱和模拟联系在一起,揭示了形状的变化,有助于开发新的艾滋病治疗方法.

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Inhibitors of Virion Maturation and Assembly01:19

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As part of their replication cycle, certain viruses synthesize long precursor proteins called polyproteins within infected host cells. In human immunodeficiency virus (HIV), two major polyproteins are produced: Gag and Gag-Pol. The Gag polyprotein supplies the structural components of the virus, while Gag-Pol includes essential viral enzymes such as reverse transcriptase, integrase, and protease. After synthesis, these polyproteins move to the host cell membrane, where they assemble into an...