Molecular Docking Study on Phytochemical Profiling of Trichosanthes Dioica (Pointed gourd) against Antitumor Evaluation as Cyclin Dependent Kinase -2(CDK2) inhibitors

Abstract

Natural products in drug discovery have been extensively documented, including their subscription to the evolution of present drugs. Trichosanthes dioca, a group of family Cucurbitaceae, is an annual or perennial herb distributed in tropical Asia and Australia. Pointed gourd (Trichosanthes dioica Roxb.) is investigated by a common name of parwal and is cultivated predominantly as a vegetable. The remarkable medicinal properties are antihyperglycemic, antihyperlipidemic, antitumor, cytotoxic, arsenic poisoning, ameliorative, anti-inflammatory, antidiarrheal, and varieties of pharmacological activities of T. dioica. D.T. dioica root demonstrates remarkable cytotoxic and genotoxic properties thus suggesting the feasibility of its possible use as a natural antitumor agent. The 3D crystal structure of the protein 1KE9 (CYCLIN-DEPENDENT KINASE 2 (CDK2) was retrieved from Protein Data Bank (PDB) and protein binding sites of the compounds were identified. The 2D structure of Indian compounds of derivatives of glycosides and triterpenes was derived from the PubChem database. The present study analyzed the molecular docking studies on the protein which is responsible for anticancer with the compounds evolved from Trichosanthes dioca. The Docking was done by Schrodinger Maestro 12.4 software tool, compounds of colocynthin' derivatives of glycosides having better docking scores than the other compounds. So it has been concluded that derivatives of glycosides can be used as an anticancer drug.