Volume : 10, Issue : 12, December – 2023

Title:

MOLECULAR DYNAMICS SIMULATION-BASED PHYTOCHEMICAL SCREENING OF BLINDING TREE (EXOECARIA AGALLOCHA) LEAF EXTRACT AGAINST CERVICAL CANCER BY TARGETING SIHA CELL LINE

Authors :

Dr. S. Swarnalatha, B.Umesh Narayan*,R.Thamarainayaki ,V.Vikram, B. Yuvaraj

Abstract :

The anticancer fruit of the blinding tree, Exoecaria agallocha, is a member of the Euphorbiaceae family and is commonly found in India. It is used to treat paralysis, rheumatism, leprosy, ulcers, and epilepsy. When treating cervical cancer, exoecaria agallocha can be utilised as a comprehensive treatment. The precise chemical mechanism underlying blindness trees’ anticancer action is still unknown. The (SiHa HPV 16+) cell line’s crystal structure was obtained from the Protein Data Bank. When the active ingredients of exoecaria agallocha (bergenin, rutin, and afzelin) were molecularly docked with cervical cancer protein, the proliferation of cervical cancer cells was significantly reduced and altered. Exoecaria agallocha has the ability to prevent cervical cancer, as demonstrated by this experiment. The study’s conclusions provide important new information.
Keywords: Exoecaria agallocha, SiHa cell line, Bergenin, Rutin, Afzelin.

Cite This Article:

Please cite this article in press B.Umesh Narayan et al, Molecular Dynamics Simulation-Based Phytochemical Screening Of Blinding Tree (Exoecaria Agallocha) Leaf Extract Against Cervical Cancer By Targeting Siha Cell Line, Indo Am. J. P. Sci, 2023; 10 (12).

Number of Downloads : 10

References:

1. Donna S. Shewach Guest Editor, University of Michigan School of Medicine Robert D. Kuchta Issue Editor, University of Colorado, Boulder CR900208X
2. Kaliamurthi S, Selvaraj G (2016) Insight on Excoecaria agallocha: An Overview. Nat Prod Chem Res 4: 203.
3. Sultana et al. Future Journal of Pharmaceutical Sciences (2022) 8:3
4. Lands, Bill. “Lipid nutrition:“In silico” studies and undeveloped experiments.” Progress in Lipid Research 85 (2022): 101142.
5. Schiffman, Mark, et al. “Human papillomavirus and cervical cancer.” The lancet 370.9590 (2007): 890-907.
6. Franco, Eduardo L. DrPHa; Schlecht, Nicolas F. PhDb; Saslow, Debbie PhDc. The Epidemiology of Cervical Cancer. The Cancer Journal 9(5):p 348-359, September 2003
7. Stoler, Mark H. MD. The Virology of Cervical Neoplasia: An HPV-Associated Malignancy
8. Crum, Christopher P. MD; Rivera, Miguel N. MD. Vaccines for Cervical Cancer. The Cancer Journal 9(5):p 368-37
9. Ekins S, Mestres J, Testa B. In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling. Br J Pharmacol. 2007 Sep;152(1):9-20. doi: 10.1038/sj.bjp.0707305. Epub 2007 Jun 4. PMID: 17549047; PMCID: PMC1978274
10. Shah, Bhumi, Palmi Modi, and Sneha R. Sagar. “In silico studies on therapeutic agents for COVID-19: Drug repurposing approach.” Life sciences 252 (2020): 117652.
11. Pecorelli, Sergio MDa,b; Odicino, Franco MDa. Cervical Cancer Staging. The Cancer Journal 9(5):p 390-394
12. Silverberg, Steven G. MDa; loffe, Olga B. MDb. Pathology of Cervical Cancer. The Cancer Journal 9(5):p 335-347
13. Adams M, Sullivan MP, Tong KKH, Goldstone DC, Hanif M, Jamieson SMF, Hartinger CG. Mustards-Derived Terpyridine-Platinum Complexes as Anticancer Agents: DNA Alkylation vs Coordination. Inorg Chem. 2021 Feb 15;60(4):2414-2424. doi: 10.1021/acs.inorgchem.0c03317. Epub 2021 Jan 26. PMID: 33497565.
14. National Center for Biotechnology Information. “PubChem Compound Summary for CID 66065, Bergenin” PubChem, https://pubchem.ncbi.nlm.nih.gov/compound/Bergenin. Accessed 9 December, 2023
15. National Center for Biotechnology Information. “PubChem Compound Summary for CID 5280805, Rutin” PubChem, https://pubchem.ncbi.nlm.nih.gov/compound/Rutin. Accessed 9 December, 2023.
16. National Center for Biotechnology Information. “PubChem Compound Summary for CID 5316673, Afzelin” PubChem, https://pubchem.ncbi.nlm.nih.gov/compound/Afzelin. Accessed 9 December, 2023.