In silico binding mechanism of Paynantheine, speciogynine and mitragynine with VEGF, TGFB, WNT, and NOTCH for anticancer potency

Aman Shah Abdul Majid; Md Shamsuddin Sultan Khan

doi:10.25163/abc.11207711421260819

System and chemical biology

RESEARCH ARTICLE (Open Access)

Next Contents Vol 1 (1)

In silico binding mechanism of Paynantheine, speciogynine and mitragynine with VEGF, TGFB, WNT, and NOTCH for anticancer potency

Aman Shah Abdul Majid ^B, Md Shamsuddin Sultan Khan ^A*

+ Author Affiliations

Advanced Bioinformatics & Chemistry 1 (1) 001-005 https://doi.org/10.25163/abc.11207711421260819

Submitted: 10 June 2019 Revised: 12 August 2019 Published: 26 August 2019

Abstract

Background: M. speciosa has been proven to have an anticancer values due to presence of mitragynine found in ketum leaves that growth in tropical forest of Southeast Asia. This compound has promising antioxidant and anticancer or chemopreventive activity. The antioxidant and anticancer efficacy of mitragynine (MTG) and its derivatives in silico were investigated in this study. Materials and Methods: MTG and its derivatives were analyzed for their binding ability, and efficiency with some anti-angiogenic biomarkers. Results: The results demonstrate the molecular interaction with MTG and its derivatives for anticancer activity. In conclusion, Molecular docking studies, suggest that Mitragyna alkaloids adopt a binding pose at the VEGF, TGFB, WNT, and NOTCH receptor to produce anticancer potency through angiogenic pathway.

References

CSID:2298865, http://www.chemspider.com/Chemical-Structure.2298865.html (accessed 06:37, Nov 2, 2014)

CSID:2301316, http://www.chemspider.com/Chemical-Structure.2301316.html (accessed 06:19, Nov 2, 2014)

CSID:4525455, http://www.chemspider.com/Chemical-Structure.4525455.html (accessed 06:22, Nov 2, 2014)

Fringe-Mediated Extension of O-Linked Fucose in the Ligand-Binding Region of Notch1 Increases Binding to Mammalian Notch Ligands. (2014) Proc.Natl.Acad.Sci.USA 111: 7290
Gasteiger, J., Marsili, M., et.al. (1980). Iterative partial equalization of orbital electronegativity - a rapid access to atomic charges. Tetrahedron. 36, 3219-3288.

Latent TGF-Beta structure and activation (2011) Nature 474: 343-349. Modular Mechanism of Wnt Signaling Inhibition by Wnt Inhibitory Factor 1 (2011) Nat.Struct.Mol.Biol. 18: 886

O. Trott, A. J. Olson, AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading, Journal of Computational Chemistry 31 (2010) 455-461

Total chemical synthesis of biologically active vascular endothelial growth factor.
(2011) Angew.Chem.Int.Ed.Engl. 50: 8029-8033

Abstract
Export Citation

View Dimensions

View Plumx

View Altmetric

Save

0
Citation

857
View

Share