MOLECULAR DOCKING STUDIES OF CURCUMA LONGA AND ALOE VERA FOR THEIR POTENTIAL ANTICANCER EFFECTS
Â Objective: In this paper, docking study is presented to use these phytocompounds for their prospective role in various types of cancers.
Methods: A group of the different set of phytocompounds (aloesin, barbaloin, curcumin, and emodin) were taken and docked into the active sites of Topoisomerase I, a 91-kDa monomer (having 765 amino acids), is encoded by a single copy gene (Top 1) located on chromosome 20q12â€“13.2 using Autodock4 Software. The docking studies of the selected proteins were also docked to study the anticancerous property of the selected phytocompounds.
Result: These studies were based on binding energy, docking energy and other relevant scores that revealed emodin could be the potential lead molecule for the inhibition of signal potent for different types of cancer. Furthermore, the important residues for potential drug target were identified.
Conclusion: This paper is an initial step toward a rational design of novel selective and potent phytocompounds inhibitors for the treatment of deadly disease cancer.
2. Tripathi P, Singh A. Indigenous Asian plants against cancer: A comprehensive review. Int J Plant Res 2015;5:80-6.
3. Tripathi P, Singh A. Natural resources from plants in the treatment of cancer: An update. Asian J Pharm Clin Res 2017;10:13-22.
4. Vermillion K, Holguin FO, Berhow MA, Richins RD, Redhouse T, Oâ€™Connell MA, et al. Dinoxin B, a withanolide from Datura inoxia leaves with specific cytotoxic activities. J Nat Prod 2011;74:267-71.
5. Yadav DN, Yogesh K, Aswani A. Antioxidant activity of peanut (Arachis hypogaea L.) skin extract: Application in soybean and mustard oil. Int J Food Process Technol 2014;1:26-31.
6. Akram M, Shahab-uddin, Ahmed A, Usmanghani K, Hannan A, Mohiuddin E, et al. Curcuma longa and curcumin: A review article. Rom J Biol Plant Biol 2010;55:65-70.
7. Wilken R, Veena MS, Wang MB, Srivatsan ES. Curcumin: A review of anti-cancer properties and therapeutic activity in head and neck squamous cell carcinoma. Mol Cancer 2011;10:12.
8. Vallianou NG, Evangelopoulos A, Schizas N, Kazazis C. Potential anticancer properties and mechanisms of action of curcumin. Anticancer Res 2015;35:645-51.
9. Jerah A, Hobani Y, Kumar BV, Bidwai A. Curcumin binds in silico to anti-cancer drug target enzyme MMP-3 (human stromelysin-1) with affinity comparable to two known inhibitors of the enzyme. Bioinformation 2015;11:387-92.
10. Sahu PK, Giri DD, Singh R, Pandey P, Gupta S, Shrivastava AK, et al. Therapeutic and medicinal uses of Aloe vera: A review. Pharmacol Pharm 2013;4:599-610.
11. Hashemi SA, Madani SA, Abediankenari S. The review on properties of Aloe vera in healing of cutaneous wounds. Biomed Res Int 2015;2015:714216.
12. Tripathi P, Singh A. Aloe vera: Plant with diverse therapeutic properties. Everymanâ€™s Sci 2016;1:6-9.
13. Zhang LQ, Lv RW, Qu XD, Chen XJ, Lu HS, Wang Y, et al. Aloesin suppresses cell growth and metastasis in ovarian cancer SKOV3 cells through the inhibition of the MAPK signaling pathway. Anal Cell Pathol (Amst) 2017;2017:8158254.
14. Ahirwar K, Jain SK. Aloe-emodin novel anticancer herbal drug. Int J Phytomed 2011;3:27-31.
15. Kumar NA, Sharmila R, Akila K, Jaikumar B. In-silico approach for the assessment of oral cancer property on Limonia acidissima. Int J Pharm Sci Res 2016;7:1271-75.
16. Sanghani HV, Ganatra SH, Pande R. Molecular-docking studies of potent anticancer agent. J Comput Sci Syst Biol 2012;5:12-5.
17. Norleena PG, Amin AR, Bayraktar S, Pezzuto JM, Shin DM, Khuri FR, et al. Cancer prevention with natural compounds. Semin Oncol 2010;37:258-81.
18. Huang Q, Lu G, Shen HM, Chung MC, Ong CN. Anti-cancer properties of anthraquinones from rhubarb. Med Res Rev 2007;27:609-30.
19. Adhikari A, Mahar KS. DNA targeted anthraquinone derivatives: An important anticancer agent. Int J Pharm Pharm Sci 2016;8:17-25.
20. Bairam R, Muppavarapu SM, Sreekanth S. Synthesis, characterization, biological evaluation and docking of some novel substituted 1, 3-thiazine derivatives. Int J Pharm Pharm Sci 2017;9:233-42.
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