High-Throughput Virtual Screening of Compounds with Electrophilic Fragments for New Potential Covalent Inhibitors of Bacterial Proteins

The search for new antibacterial drugs has continued to be an urgent matter. One of the approaches is the development of covalent inhibitors using biochemoinformatics at the initial stages. In this work, structures of a few plant-derived substances with electrophilic unsaturated carbonyl and structu...

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Hlavní autoři:	Polina Yakovets, Viktoryia Staravoitava, Yaroslav Faletrov, Vladimir Shkumatov
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	MDPI AG 2022-11-01
Edice:	Chemistry Proceedings
Témata:	docking antibacterial drugs covalent inhibitors bacterial proteins fragment-based drug discovery
On-line přístup:	https://www.mdpi.com/2673-4583/12/1/87
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