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International Journal of Current Microbiology and Applied Sciences (IJCMAS)
IJCMAS is now DOI (CrossRef) registered Research Journal. The DOIs are assigned to all published IJCMAS Articles.
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National Academy of Agricultural Sciences (NAAS)
NAAS Score: *5.38 (2019)
[Effective from January 1, 2019]
For more details click here

ICV 2017: 100.00
Index Copernicus ICI Journals Master List 2017 - IJCMAS--ICV 2017: 100.00
For more details click here

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Original Research Articles

PRINT ISSN : 2319-7692
Online ISSN : 2319-7706
Issues : 12 per year
Publisher : Excellent Publishers
Email : editorijcmas@gmail.com / submit@ijcmas.com
Editor-in-chief: Dr.M.Prakash
Index Copernicus ICV 2017: 100.00
NAAS RATING 2018: 5.38

Int.J.Curr.Microbiol.App.Sci.2019.8(5): 1347-1358
DOI: https://doi.org/10.20546/ijcmas.2019.805.154


In silico Docking Analysis of Bioactive Compounds from Stoechoespermum marginatum against Colorectal Cancer
L. Kalaiselvi1*, P. Sriram1, S.P. Preetha1, M. Parthiban2 and T.A. Kannan3
1Department of Veterinary Pharmacology and Toxicology,
2Department of Animal Biotechnology

3Department of Veterinary Anatomy, Madras Veterinary College, Tamil Nadu Veterinary and Animal Sciences University, Chennai-600 007, India
*Corresponding author
Abstract:

Colorectal cancer is one of the most commonly diagnosed malignancies are mainly initiated by the mutations in the wnt signalling proteins, viz., Adenomatous polyposis coli (APC), β-Catenin and glycogen synthase kinase 3 β (GSK-3 β). The present study focuses on molecular docking analysis of bioactive molecules isolated from Stoechospermum marginatum against wnt signalling proteins. Twelve bioactive molecules from S. marginatum were evaluated for their potential to interact with wnt signalling proteins. The biomolecules were screened for their in silico ADMET properties. The results revealed that compound 7 (5(R), 15, 18(R/S), 19-tetrahydroxy spata 13,16-diene) and compound 8 (19-acetoxy, 5(R), 15, 16-trihydroxy spata 13, 17-diene) had good interaction with β-catenin , APC and GSK3 β proteins and were found to possess required ADMET criteria with good aqueous solubility, low BBB permeability, low plasma protein binding, non-hepatotoxic, non-mutagenic and lack of CYP2D6 inhibition. From the results of the study, compound 7 [5(R), 15, 18(R/S), 19-tetrahydroxy spata 13, 16-diene] and compound 8 [19-acetoxy, 5(R), 15, 16-trihydroxy spata 13, 17-diene] would be a promising lead candidate for further research and development of drugs against colorectal cancer.


Keywords: Colorectal cancer, Stoechospermum marginatum, docking, wnt, adenomatous polyposis coli, β-Catenin glycogen synthase kinase 3 β
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How to cite this article:

Kalaiselvi, L., P. Sriram, S.P. Preetha, M. Parthiban and Kannan, T.A. 2019. In silico Docking Analysis of Bioactive Compounds from Stoechoespermum marginatum against Colorectal CancerInt.J.Curr.Microbiol.App.Sci. 8(5): 1347-1358. doi: https://doi.org/10.20546/ijcmas.2019.805.154