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Updated: Jul 17, 2026

Nanomechanics of Drug-target Interactions and Antibacterial Resistance Detection
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通过基于深度学习和基于量子力学的原子学研究的新方法,识别对大肠杆菌的潜在抑制剂

Mubashir Aziz1, Syeda Abida Ejaz1, Bshra A Alsfouk2

  • 1Department of Pharmaceutical Chemistry, Faculty of Pharmacy, The Islamia University of Bahawalpur, Bahawalpur, 63100, Pakistan.

Archives of biochemistry and biophysics
|September 21, 2023
PubMed
概括

针对DNA旋转酶的新型候选药物被使用计算方法识别,以对抗抗生素耐药性. 这些新的抑制剂显示出开发下一代抗生素对抗耐药细菌感染的前景.

关键词:
DFTs 是一个数字货币交易所.DNA 旋转酶 B 的作用.深度学习是一种深度学习.分子动力学模拟模型药科类动物 (Pharmacophore) 是一种药科类动物.

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相关概念视频

Protein-protein Interfaces02:04

Protein-protein Interfaces

Many proteins form complexes to carry out their functions, making protein-protein interactions (PPIs) essential for an organism's survival. Most PPIs are stabilized by numerous weak noncovalent chemical forces. The physical shape of the interfaces determines the way two proteins interact. Many globular proteins have closely-matching shapes on their surfaces, which form a large number of weak bonds. Additionally, many PPIs occur between two helices or between a surface cleft and a polypeptide...