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Updated: Feb 14, 2026

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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分子動力シミュレーションを用いたDPM-1001によるPTP1Bのアロステリック阻害メカニズム

Koki Yano1, Ikki Yasuda1, Yoshinori Hirano2

  • 1Department of Mechanical Engineering, Keio University, Yokohama 223-8522, Japan.

Biophysical journal
|February 13, 2026
PubMed
まとめ

DPM-1001は,重要な相互作用を妨害し,重要な残基をロックすることによって,タンパク質チロシン・フォスファタゼ1B (PTP1B) の非活性構成を安定させます. これは,より良い糖尿病と肥満薬の設計のためのアロステリック阻害メカニズムを明らかにします.

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