In silico cancer potential of 2-pyrrolidinones from marine origin

Tzompantzi, Victoria Rodriguez and López, Antonio Rosales and Solano, David M. Aparicio and Terán, Joel L. and Carballo, Alan Carrasco (2025) In silico cancer potential of 2-pyrrolidinones from marine origin. GSC Biological and Pharmaceutical Sciences, 30 (3). 099-111. ISSN 2581-3250

2-pyrrolidinones present a great variability of biological activities, particularly those of marine origin have given rise to a great diversity of these, so from them, through studies of structural similarity, molecular docking and ADMETx analysis, the potential carcinogenic activity of a library of 33 2-pyrrolidines from various marine organisms was found. Derived from this study, several compounds, such as Cephalimysins M, Cephalimysins N, Amycolactam and Spongialactam A, were shown to be excellent candidates against cancer, via JAK2, JAK3, PDE10A, MAPK14, PDE4A, PDE4B and EGFR, functioning at a mono or multi-target level, without negatively affecting the central nervous system and with low possible toxic effects.