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Updated: Jan 2, 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

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SARS-CoV-2 メイン・プロテアゼとパパイン型プロテアゼの二重阻害剤としての9-フローレノンベースの合成スルフォナミド化合物

Sudesna Das1,2, Prasad Sunnapu3, Mohammed Rafi1,3

  • 1Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India.

Molecular diversity
|September 7, 2025
PubMed
まとめ

新しい9-フローレノン硫黄胺は,SARS-CoV-2プロテアゼの二重または選択的阻害を示しています. 化合物3eと3hはウイルスの複製を効果的に抑制し,新しい抗ウイルス剤としての可能性を秘めています.

キーワード:
インシリコン構造9-フローレノンの足場ベースドッキングデュアルプロテアゼ阻害剤FRETベースの測定法高通量スクリーニングメインプロテアゼ (Mpro)分子ダイナミクス (MD) シミュレーションパパインのようなプロテアゼ (PLpro)SARS-CoV-2についてスルフォナミド系ティロロン

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