Evaluation of Phytochemicals and Anticancer Potential of <i>C. maxima</i>: An <i>In-silico</i> Molecular Docking Approach

Abstract

Cucurbita maxima belongs to the Cucurbitaceae family and has many traditional medicinal properties claimed that are used in food. The various parts of the Cucurbita maxima are reported to have versatile activities such as antimicrobial, antioxidant, anti-insecticidal, anti-inflammatory and anticancer properties. The current study was designed to evaluate the phytoconstituent profiles of C. maxima pulp, peel and seed extracts (aqueous and methanol) extracted at different temperatures (40 °C, 50 °C, 60 °C) and time (1 and 2 hr). For these extracts, qualitative and quantitative determination were performed, and the aqueous seed extract of C. maxima at 50 °C for 2 hours had higher phytoconstituents, which was further taken for the GCMS analysis. Furthermore, the top hit compounds from the GCMS such as Guanosine (CAS), 8,11,14-Eicosatrienoic acid, Farnesol and 13-Tetradecenal were docked against p53 Y220S mutant (6SI2), and Fibroblast growth factor receptor 1 protein (FGFR1) (4V05). The results revealed that Guanosine with p53 and 8,11,14-Eicosatrienoic acid with FGFR1 have good binding affinities of -7.2 and -6.3 kcal/mol respectively. Conclusively, the top compounds from the aqueous seed extract of C. maxima extracted at 50 °C for 2 hours have significant breast cancer activity and it has to be further taken to in vitro and in vivo studies in the future.