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Updated: May 31, 2025

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
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乙酸酸合成酶 (AHAS) 抑制剂作为抗结核剂:从分子对接和动力学模拟的见解

Kunal Gokhale1, Nachiket Joshi1, RajaSekhar Reddy Alavala1

  • 1Shobhaben Pratapbhai Patel School of Pharmacy & Technology Management, SVKM's NMIMS, Mumbai, Maharashtra, India.

Chemistry & biodiversity
|January 24, 2025
PubMed
概括

针对乙酸酸合成酶 (AHAS) 的新型化合物显示出对结核病 (TB) 治疗的希望. 两种化合物,KG 98和KG 131,表现出显著的稳定性和强烈的相互作用,表明有可能开发新的结核病药物.

关键词:
1,3,5-triazines 乙酸酸合成酶 (AHAS) imidazoles 分子动力学 triazoles 结核病 (TB) 虚拟查

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