Happy to share our recently published review article published in the prestigious journal Drug Discovery Today (IF 6.5), a collaboration with Luis Passarinha and Angela Sousa from the University of Beira Interior (Portugal). This review article discusses the most recent breakthroughs in computer-aided drug design applied to the study of membrane protein markers in prostate cancer, with particular emphasis being given to structure-based drug design approaches, and the new possibilities emerging in recent years.
Advances in structure-based drug design targeting membrane protein markers in prostate cancer
Batista-Silva J.P., Gomes D., Sousa S.F., Sousa A., and Passarinha L.A.
Drug Discovery Today 29 (9) (2024)
Review | DOI: 10.1016/j.drudis.2024.104130
Abstract:
Prostate cancer (PCa) is one of the leading cancers in men and the lack of suitable biomarkers or their modulators results in poor prognosis. Membrane proteins (MPs) have a crucial role in the development and progression of PCa and can be attractive therapeutic targets. However, experimental limitations in targeting MPs hinder effective biomarker and inhibitor discovery. To overcome this barrier, computational methods can yield structural insights and screen large libraries of compounds, accelerating lead identification and optimization. In this review, we examine current breakthroughs in computer-aided drug design (CADD), with emphasis on structure-based approaches targeting the most relevant membrane-bound PCa biomarkers.
