Ya-Ping Yan1,
Xiu-Qin Zhang1,
Xiu-Kui Wang1,
Lin-Xia Li1,
Jian-jun Ma2 
For correspondence:- Jian-jun Ma Email: majianjun617@gmail.com Tel:+865372213030
Accepted: 27 October 2017 Published: 31 January 2018
Citation: Yan Y, Zhang X, Wang X, Li L, Ma J. Molecular docking studies on rocaglamide, a traditional Chinese medicine for periodontitis. Trop J Pharm Res 2018; 17(1):41-45 doi: 10.4314/tjpr.v17i1.7
© 2018 The authors.
This is an Open Access article that uses a funding model which does not charge readers or their institutions for access and distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0) and the Budapest Open Access Initiative (http://www.budapestopenaccessinitiative.org/read), which permit unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited..
Purpose: To undertake an in silico assessment of rocaglamide as a potential drug therapy for periodontitis (dental arthritis).
Method: Lamarckian algorithm-based automated docking approach using AutoDock4.2 tool was applied for calculating the best possible binding mode of rocaglamide to IL-23p19 and IL-17, the targets of anti-inflammatory drugs in periodontal disease.
Results: The top two interactions of rocaglamide with IL-17 (ΔG = -5.45 and -4.83 kcal/mol) were more spontaneous, and the physical interactions (two hydrogen bonds and one π-πbond) generated in the two IL-17- rocaglamide complexes were higher in number than in IL-23p14-rocaglamide complexes.
Conclusion: In silico analysis of rocaglamide, a known antimicrobial and anti-inflammatory agent, is a promising natural candidate for periodontitis therapy, and should be further subjected to in vitro and in vivo anti-periodontitis investigations
Archives
News Updates
Fulltext in PDF