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Updated: Jan 10, 2026

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通过基于碎片分子轨道的热点分析和基位动态模拟来发现PAR2抗剂

Junyoung Park1, Hocheol Lim2, Yechan Lee3

  • 1The Interdisciplinary Program in Integrative Biotechnology, Yonsei University, Incheon 21983, Republic of Korea.

Bioorganic chemistry
|November 27, 2025
PubMed
概括

这项研究开发了一种针对蛋白酶激活受体2 (PAR2) 抗剂的新型药物发现平台. 综合方法成功识别了P2L-003,一种强效和可溶性PAR2抗剂,证明了GPCR药物开发的新工作流.

关键词:
敌对者的敌人 敌对者的敌人碎片分子轨道的碎片.在GPCR中,GPCR是指GPCR.分子动力学分子动力学纳+) 离子的离位变化在PAR2中,PAR2是PAR2的一部分.药科类动物 (Pharmacophore) 是一种药科类动物.

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