Artificial Intelligence Meets Vascular Health: Identifying Molecules for Precision Repair of Barrier Dysfunctions

Fatima Abdulkadir Muhammad; Shehu-Alimi Elelu; Ganiyat Omotayo Ibrahim; Idowu Afeez Temitope; Miracle Uwa Livinus; Abdulsalam Hawau Avoswahi; Alege Abdulraheem Lateefat; Musa Ojeba Innocent; Mustapha  Abdulsalam

doi:10.55006/biolsciences.2025.5205

Authors

Fatima Abdulkadir Muhammad Department of Microbiology, Skyline University Nigeria
Shehu-Alimi Elelu Department of Chemistry, Howard University, Washington DC, USA
Ganiyat Omotayo Ibrahim Department of Chemistry, Nottingham Trent University, UK
Idowu Afeez Temitope Department of Medicinal Research, Kaohsiung Medical University Hospital, Taiwan
Miracle Uwa Livinus Department of Biochemistry, Skyline University Nigeria
Abdulsalam Hawau Avoswahi Department of Computer Sciences, University of Ilorin, Nigeria
Alege Abdulraheem Lateefat Department of Microbiology, Kwara State University, Malete, Nigeria
Musa Ojeba Innocent Department of Microbiology, Skyline University, Nigeria
Mustapha Abdulsalam Department of Microbiology, Skyline University, Nigeria

DOI:

https://doi.org/10.55006/biolsciences.2025.5205

Keywords:

AI in drug discovery, Vascular barrier repair, Small molecules, Targeted therapeutics, Vascular dysfunction

Abstract

Vascular barrier dysfunctions pose significant health risks, contributing to pathological conditions characterized by increased permeability and inflammation. This study explores the potential of artificial intelligence (AI) in identifying small molecules that can effectively target and repair these dysfunctions. The fundamental mechanisms underlying vascular barrier integrity, common causes of dysfunction, and the role of small molecules in therapeutic repair are discussed. Existing research gaps and limitations of traditional drug discovery approaches necessitating innovative solutions are highlighted. Integrating AI techniques such as machine learning, molecular docking, and virtual screening represents a paradigm shift in drug discovery, offering enhanced efficiency and accuracy in identifying promising candidates. Successful case studies demonstrate the effectiveness of AI-driven methodologies, while challenges related to data limitations and biological validation are also addressed. Looking ahead, the collaboration between AI and multi-omics approaches is poised to transform vascular medicine, facilitating personalized therapeutic strategies and ultimately improving patient outcomes.

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