A desirability-based multi objective approach for the virtual screening discovery of broad-spectrum anti-gastric cancer agents.

ABSTRACT: Gastric cancer is the third leading cause of cancer-related mortality worldwide and despite advances in prevention, diagnosis and therapy, it is still regarded as a global health concern. The efficacy of the therapies for gastric cancer is limited by a poor response to currently available therapeutic regimens. One of the reasons that may explain these poor clinical outcomes is the highly heterogeneous nature of this disease. In this sense, it is essential to discover new molecular agents capable of targeting various gastric cancer subtypes simultaneously. Here, we present a multi-objective approach for the ligand-based virtual screening discovery of chemical compounds simultaneously active against the gastric cancer cell lines AGS, NCI-N87 and SNU-1. The proposed approach relays in a novel

SUBMITTER: Perez-Castillo Y 

PROVIDER: S-EPMC5805264 | biostudies-literature | 2018

REPOSITORIES: biostudies-literature