Aadhibhagawan College of Pharmacy, Rantham Village, Tiruvannamalai District-604407, Tamilnadu, India
Crocus sativus L., molecular docking, phytochemicals, ADMET analysis, anti-hypertensive, anti-convulsant, antidiabetic, anti-inflammatory, anti-depressant ,

The identification of novel lead compounds from natural sources is paramount in modern drug discovery. This study employed a dual computational strategy that is in silico molecular docking followed by ADMET analysis to systemically evaluate the therapeutic potential of major phytochemicals isolated from crocus sativus L (Iridaceae). crocus sativus is commonly known as saffron, is a valuable medicinal plant traditionally used for treatment of various disorders including cancer, depression, inflammation, diabetes, hypertension, convulsant, and neurodegenerative diseases.key phytochemicals such as safranal, picrocrocin, kaempferol, crocetin, oleic acid, thiamine, lycopene, linalool, quercetin, riboflavin, phytoene were selected and docked against selected therapeutic protein targets involved in oxidative stress, inflammation, cancer progression, and metabolic regulation. Molecular stability within the active sites of target proteins. The results demonstrated favourable binding energies and significant interactions, including hydrogen bonding and hydrophobic contacts, between crocus sativus compounds and the target proteins, suggesting strong inhibitory potential. The docking phase identifies exceptional affinities, lycopene, crocetin, phytoene, quercetin, kaempferol etc., and shows high affinities for respective targets. Critically, the ADMET analysis revealed that the top performing phytochemicals satisfy the majority of drug-likeness filters. These finding conclude conclude that the traditional use of Crocus sativus positions its potent, druggable constituents as highly promising multi-target lead compound for pharmacologicl development.

16 , 1 , 2026