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Drug-likeness prioritised selection identifies anti-Escherichia coli candidates confirmed by molecular docking, dynamics simulations, and antibacterial assays

To address the imbalance between antibacterial potency and developability in cephalosporin discovery against Escherichia coli, we developed a comprehensive screening strategy guided by the principle of maximum drug-likeness. An integrated evaluation framework was established, consisting of 33 indepe...

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Hlavní autoři: Beibei Yu, Haoyu Zhu, Lu Xu, Xiangdong Zhao, Wei Shi
Médium: Artigo
Jazyk:Inglês
Vydáno: Taylor & Francis Group 2026-12-01
Edice:Journal of Enzyme Inhibition and Medicinal Chemistry
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On-line přístup:https://www.tandfonline.com/doi/10.1080/14756366.2026.2640719
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