Introduction of novel drug targets against Staphylococcus aureus and proposing putative inhibitors against adenine N1 (m1A22)-tRNA methyltransferase (TrmK) using computer-aided drug discovery.

Current pharmaceutical design(2023)

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摘要
The results of this study provided three feasible drug targets against S. aureus. In the following, seven hit compounds were introduced as potential inhibitors of TrmK, and Geninthiocin_D was identified as the most desirable agent. However, in vivo and in vitro investigations are needed to confirm the inhibitory effect of these agents on S. areus.
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关键词
Staphylococcus aureus, structure-based virtual screening, TrmK, Quinaldopeptin, ADMET, VRSA
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