Article
GCN-Based Structure-Activity Relationship and DFT Studies of Staphylococcus aureus FabI Inhibitors
Gabriel Corrêa Veríssimo, Valtair Severino dos Santos Junior, Philipe Oliveira Fernandes, Shoichi Ishida, Ryosuke Kojima, Yasushi Okuno, Jadson Castro Gertrudes, Vinicius Gonçalves Maltarollo.
© 2022.
16 pages.
The enoyl-[acyl-carrier-protein] reductase (FabI) is an important enzyme in the fatty acid metabolism of Gram-positive bacteria, such as Staphylococcus aureus. FabI is also a potential target for the development of novel antibacterials. Several machine learning-driven studies were reported to develop...