Anticancer activity of Jasminum sambac and its bioactive phytochemicals against the PI3K-AKT-mTOR pathway: A literature-based in silico study

Abstract

Jasminum sambac, commonly known as Arabian jasmine, is a traditional medicinal plant with a broad spectrum of therapeutic properties. Recent studies have focused on its potential anticancer activities, particularly through the inhibition of the PI3K-AKT-mTOR pathway, a critical signaling cascade involved in cell growth, proliferation, survival, and metabolism. This review explores the anticancer properties of J. sambac and its bioactive phytochemicals, utilizing molecular docking and ADMET (absorption, distribution, metabolism, excretion, and toxicity) analyses to evaluate their efficacy and safety. For this, literature review data were collected as of August 6, 2024, and further molecular docking was done with the selected phytochemicals against PI3K, AKT, and mTOR (PDB ID: 5DXT, 6HHF, and 8PPZ, respectively) proteins. The results indicated that J. sambac and its bioactive compounds, particularly hesperidin (HPN) and quercetin (QRN), demonstrated significantly inhibited PI3K-AKT-mTOR pathways and showed high binding affinity against PI3 K and AKT, with values of –10.5 and –10.9 kcal/mol for HPN and –8.2 and –9.5 kcal/mol for QRN, respectively. In comparison, co-crystal ligands exhibited binding energies of –8.2 and –13.5 kcal/mol. Additionally, all compounds demonstrated higher binding affinity for mTOR compared to the co-crystal ligands, with oleanolic acid (OA) exhibiting the highest affinity. The ADMET analyses suggest favorable pharmacokinetic properties and low toxicity profiles, making J. sambac phytochemicals a promising candidate for developing anticancer therapies. This review and in silico studies highlight the importance of further clinical research to validate these findings and also J. sambac and its bioactive compounds as effective as well as safe anticancer agents.