Work

In silico cancer potential of 2-pyrrolidinones from marine origin

Year: 2025

Type: article

Abstract: 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.

Source: GSC Biological and Pharmaceutical Sciences

DOI: 10.30574/gscbps.2025.30.3.0093

Authors: Victoria Rodriguez-Tzompantzi, Antonio Rosales-López, David M. Aparicio-Solano, Joel L. Terán, Alan Carrasco-Carballo

Institutions: Benemérita Universidad Autónoma de Puebla, Secretaría de Ciencia, Humanidades, Tecnología e Innovación

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

SDG: Good health and well-being

Open Access status: diamond

OpenAlex ID: W4408253671