The Role of Artificial Intelligence in the Development of Efflux Pump Inhibitors

Elhidar  Najoua; Katif  Chaimaa; Ait Hammou  Hanane

doi:10.18502/jmb.v14i1.21103

Elhidar Najoua Laboratory of Microbial Biotechnology, Agrosciences, and Environment (BioMAgE), Labeled Research Unit-CNRST N°4, Faculty of Sciences Semlalia, Cadi Ayyad University, Marrakech 40000, Morocco
Katif Chaimaa Laboratory of Microbial Biotechnology, Agrosciences, and Environment (BioMAgE), Labeled Research Unit-CNRST N°4, Faculty of Sciences Semlalia, Cadi Ayyad University, Marrakech 40000, Morocco
Ait Hammou Hanane High Institute of Nursing Professions and Health Techniques, Marrakech 40000, Morocco

DOI: https://doi.org/10.18502/jmb.v14i1.21103

Keywords: Artificial intelligence, Antimicrobial resistance, Drug discovery, Efflux pumps, Inhibitors.

Abstract

Background: Antimicrobial resistance (AMR) mediated by efflux pumps constitutes a critical healthproblem, necessitating urgent strategies for the development of new efflux pump inhibitors (EPIs). Inthis regard, artificial intelligence (AI) seems to be an innovative strategy for accelerating discovery,optimization, and understanding of EPIs mechanisms of action.

Conclusion: This review summarizes recent advances regarding the role of AI in the developmentof new EPI, with emphasis on machine learning (ML) based inhibitor prediction, molecular dynamics(MD) for binding analysis, and quantitative structure-activity relationship modeling (QSAR). Byregrouping data from recent studies, we discuss here the important role played by AI in theimprovement of lead identification, inhibitor designs, and the study of the resistance mechanisms.Despite current limitations such as limited, fragmented data and structural complexity of effluxpumps, AI offers great promise to revolutionize EPI development. In order to effectively combatAMR, we address here some key approaches, applications, challenges, and future directions,demonstrating the urgent need for interdisciplinary collaboration