Ganoderic acid targeting multiple receptors in cancer: in silico and in vitro study

摘要: Receptor tyrosine kinases (RTKs) are transmembrane high-affinity surface receptors responsible for cell migration, adhesion, apoptosis, metabolism, and proliferation activities in various cancers. Minute aberration the RTK signaling modulates downstream pathways that results cancer. Ganoderic acid is a triterpene isolated from Ganoderma lucidum, which renowned its therapeutics effect, especially The present study discusses receptor-based molecular docking of insulin receptor (IR), insulin-like growth factor 1 (IGFR-1), vascular endothelial receptor-1 (VEGFR-1), receptor-2 (VEGFR-2), estrogen (ER) with 50 isoforms ganoderic along natural inhibitors. These were assessed toxicity (ADMET) by using Maestro 9.6 (Schrodinger Inc). calculated free energy yielded an excellent dock score when docked proteins IR, IGFR-1, VEGFR-1, VEGFR-2, ER, suggesting potential combating Protein–ligand profile highlighted binding interactions comprising lipophilic, hydrogen bonding, pi-pi stacking interactions, noncovalent bonding play pivotal role targeting In silico studies revealed structure A as best among exhibits biological activity liver cancer cells. acids significantly decrease viability, proliferation, oxidative stress dose-dependent manner