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Current Traditional Medicine

Author(s): Nidhi Rani*, Randhir Singh, Praveen Kumar and Nitin Verma

DOI: 10.2174/2215083810666230710122114

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In Silico Study of the Structural Disruption of 14α-demethylase Induced by the Binding of Terminalia chebula Constituents

Article ID: e100723218590 Pages: 20

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Abstract

Background: Since ancient times, medicinal plants have been in use in medicine and daily life.

Objective: To develop new antifungal compounds with low toxicity and high efficacy followed by high bioavailability, the constituents of Terminalia chebula were studied.

Methods: The chemical constituents of the plant were evaluated for antifungal potential via Molergo Virtual Docker against the enzyme 14α-demethylase.

Results: The study depicted that tannins exhibited very good potential against the enzyme and could be used further for lead development.

Conclusion: The study revealed that the plant possessed various constituents with potential antifungal properties and low toxicity.

Keywords: Antifungal, 14α-demethylase, molecular docking, tannins, terminalia, antifungal compounds.

Graphical Abstract

[1]
Kolla JN, Kulkarni NM, Kura RR, Theepireddy SKR. Terminalia chebula Retz. - an important medicinal plant. Herba Pol 2017; 63(4): 44-56.
[http://dx.doi.org/10.1515/hepo-2017-0024]
[2]
Riaz M, Khan O, Sherkheli MA, et al. Chemical constituents of Terminalia Chebula. Nat Prod Ind J 2017; 13(2): 112.
[3]
Saleem A, Husheem M, Härkönen P, Pihlaja K. Inhibition of cancer cell growth by crude extract and the phenolics of Terminalia chebula retz. fruit. J Ethnopharmacol 2002; 81(3): 327-36.
[http://dx.doi.org/10.1016/S0378-8741(02)00099-5] [PMID: 12127233]
[4]
Kim HG, Cho JH, Jeong EY, Lim JH, Lee SH, Lee HS. Growth-inhibiting activity of active component isolated from Terminalia chebula fruits against intestinal bacteria. J Food Prot 2006; 69(9): 2205-9.
[http://dx.doi.org/10.4315/0362-028X-69.9.2205] [PMID: 16995525]
[5]
Lee HS, Jung SH, Yun BS, Lee KW. Isolation of chebulic acid from Terminalia chebula Retz. and its antioxidant effect in isolated rat hepatocytes. Arch Toxicol 2007; 81(3): 211-8.
[http://dx.doi.org/10.1007/s00204-006-0139-4] [PMID: 16932919]
[6]
Williamson I, Stewart TM, White MA, York Crowe E. An information-processing perspective on body image. In: Cash TF, Pruzinsky T, Eds. Body image: A handbook of theory, research, and clinical practice. New York: Guilford Press 2002; pp. 47-54.
[7]
Rani N, Sharma A, Gupta G, Singh R. Imidazoles as potential antifungal agents: A review. Mini Rev Med Chem 2013; 13(11): 1626-55.
[http://dx.doi.org/10.2174/13895575113139990069] [PMID: 23815583]
[8]
Rani N, Kumar P, Singh R, Sharma A. Molecular docking evaluation of imidazole analogues as potent Candida albicans 14α-demethylase inhibitors. Curr Comp Aided Drug Des 2015; 11: 8-20.
[PMID: 26081558] [http://dx.doi.org/10.2174/1573409911666150617113645]
[9]
Rani N, Singh R. Molecular modeling investigation of some new 2-mercaptoimidazoles. Curr Comp Aided Drug Des 2017; 13: 1-9.
[10]
Rani N, Kumar P, Singh R. Docking study of fluoro substituted imidazole derivatives as 14α-demethylase inhibitors. Int J Drug Res Tech 2017; 7(7): 297-317.
[11]
Nadendla RR. Molecular modeling: A powerful tool for drug design and molecular docking. Resonance 2004; 9(5): 51-60.