Identifying p56^lck SH2 Domain Inhibitors Using Molecular Docking and In Silico Scaffold Hopping

Bacterial infections are the second-leading cause of death, globally. The prevalence of antibacterial resistance has kept the demand strong for the development of new and potent drug candidates. It has been demonstrated that Src protein tyrosine kinases (TKs) play an important role in the regulation...

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Hauptverfasser:	Priyanka Samanta, Robert J. Doerksen
Format:	Artigo
Sprache:	Inglês
Veröffentlicht:	MDPI AG 2024-05-01
Schriftenreihe:	Applied Sciences
Schlagworte:	e-pharmacophore modeling virtual screening ensemble docking core hopping ADMET predictions protein–ligand interactions
Online-Zugang:	https://www.mdpi.com/2076-3417/14/10/4277
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