Binding selectivity analysis of AURKs inhibitors through molecular dynamics simulation studies.

Aurora kinases (AURKs) have been identified as promising biological targets for the treatment of cancer. In this study, molecular dynamics simulations were employed to investigate the binding selectivity of three inhibitors (HPM, MPY, and VX6) towards AURKA and AURKB by predicting their binding free...

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Hlavní autoři:	Rima D Alharthy, Ghulam Fatima, Numan Yousaf, Muhammad Shaheen Iqbal, Sadia Sattar, Abdullah R Alanzi, Ijaz Ali, Muhammad Muddassar
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	Public Library of Science (PLoS) 2023-01-01
Edice:	PLoS ONE
On-line přístup:	https://doi.org/10.1371/journal.pone.0295741
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