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Updated: May 12, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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Published on: June 20, 2025

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探索新型Y140F/H突变真菌CYP51抑制剂:对烯化合物进行分子对接和动力学研究

Abdulrahim A Alzain1, Alaa Edris1, Rua M Mukhtar1

  • 1Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Gezira, Wad Madani 21111, Sudan.

Journal of pharmacy & bioallied sciences
|July 14, 2025
PubMed
概括

这项研究确定了三种新型烯化合物作为Y140F/H真菌CYP51酶的潜在抑制剂,解决了由于耐药性增加而迫切需要新的抗真菌药物的急需. 这些化合物显示出有希望的结合亲和力和稳定性,用于治疗侵入性真菌感染.

关键词:
在CYP51的研究中,发现药物的发现.菌性感染 菌性感染 菌性感染身体健康和福祉.分子对接的分子对接.分子动力学分子动力学铁烯 thiophene 铁烯 thiophene 铁烯 thiophene 铁烯 thiophene 铁烯

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