Antibiotic discovery with artificial intelligence for the treatment of Acinetobacter baumannii infections
Younes Smani,
Yassir Boulaamane,
Irene Molina Panadero
et al.
Abstract:The global challenges presented by multidrug-resistant Acinetobacter baumannii infections have stimulated the development of new treatment strategies. We reported that OmpW is a potential therapeutic target in Acinetobacter baumannii. Here, a library of 11,648 natural compounds was subjected to a primary screening using QSAR models generated from a ChEMBL dataset with >7,000 compounds with their reported MIC values against A. baumannii followed by a structure-based virtual screening against OmpW. In silico … Show more
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