Comparison of ATP-binding pockets and discovery of homologous recombination inhibitors

[Display omitted] The ATP binding sites of many enzymes are structurally related, which complicates their development as therapeutic targets. In this work, we explore a diverse set of ATPases and compare their ATP binding pockets using different strategies, including direct and indirect structural m...

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Veröffentlicht in:	Bioorganic & medicinal chemistry 2022-09, Vol.70, p.116923-116923, Article 116923
Hauptverfasser:	Blay, Vincent, Gailiunaite, Saule, Lee, Chih-Ying, Chang, Hao-Yen, Hupp, Ted, Houston, Douglas R., Chi, Peter
Format:	Artikel
Sprache:	eng
Schlagworte:	ATP Binding pocket Cheminformatics Docking Drug design Ligandability RAD51 Recombinase Virtual screening
Online-Zugang:	Volltext
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