IN-VITRO AND IN-SILICO STUDIES ON SELECTED PHYTOCONSTITUENTS OF MITRAGYNA PARVIFOLIA (ROXB.) STEM BARK FOR ANTI-CANCER ACTIVITYAbstract
Cancer is a dreadful disease all over the world. The death rate had been increasing because of different types of cancers even though several drugs, treatment models and regimens are invented by scientists. Natural drugs have been showing remarkable results in the treatment of different cancers with less or no side effects. Advancements in screening methods using computer aided tools helping the researchers to discover new phytochemicals with prominent and specific activity against different diseases. The objective of the present study was to evaluate the anti-cancer potential of dichloromethane extract of Mitragyna parvifolia stem bark using MTT assay and molecular docking studies. MTT assay was performed on MCF7, A549 and HepG2 cell lines. IC50 values were found to be 402.8 μg/ml, 207.4μg/ml and 104.4μg/ml, respectively. The phytoconstituents of extract were determined by GC-MS GC-MS analysis, most probable structures were identified and named using NIST library. GC-MS study revealed 76 compounds in which acontanes, decenes, and decanoicacids are of maximum percentage. A molecular docking study was conducted on the selected compounds by choosing respective anti-cancer drug target proteins, VEGFR 2 kinase (lung cancer), (breast cancer) and EGFR kinase (liver cancer) using autodockvina. In the docking study, the binding energy and interactions of steroidal derivatives were comparable to those of standards (Sorafenib, SYR, and Erlotinib), indicating remarkable anti-cancer activity of the extract.
P. Ravi Kumar *, Srinu Naik Sapavatu and Madhava Reddy B
Department of Pharmacognosy, G. Pulla Reddy College of Pharmacy, Mehdipatnam, Hyderabad, Telangana, India.
25 January 2021
05 May 2021
29 May 2021
01 December 2021