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)
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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