Network pharmacology, molecular simulation, and binding free energy calculation-based investigation of Neosetophomone B revealed key targets for the treatment of …

A Khan, Y Waheed, S Kuttikrishnan… - Frontiers in …, 2024 - frontiersin.org
In the current study, Neosetophomone B (NSP–B) was investigated for its anti-cancerous
potential using network pharmacology, quantum polarized ligand docking, molecular …