In silico Docking Analysis of Bioactive Compounds from Stoechoespermum marginatum against Colorectal Cancer

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dc.contributor.authorKalaiselvi, L
dc.contributor.authorSriram, P
dc.contributor.authorPreetha, SP
dc.contributor.authorParthiban, M
dc.contributor.authorKannan, TA
dc.contributor.authorTANUVAS
dc.date.accessioned2019-11-05T05:37:38Z
dc.date.available2019-11-05T05:37:38Z
dc.date.issued2019
dc.descriptionTNV_IJCMAS_2019_8(5)1347-1358en_US
dc.description.abstractColorectal 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, nonhepatotoxic, 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.en_US
dc.identifier.urihttp://krishikosh.egranth.ac.in/handle/1/5810134247
dc.keywordsColorectal cancer, Stoechospermum marginatum, docking, wnt, adenomatous polyposis coli, β- Catenin glycogen synthase kinase 3 βen_US
dc.language.isoenen_US
dc.pages1347-1358en_US
dc.relation.ispartofseries;5
dc.subjectVeterinary Scienceen_US
dc.titleIn silico Docking Analysis of Bioactive Compounds from Stoechoespermum marginatum against Colorectal Canceren_US
dc.title.alternativeInternational Journal of Current Microbiology and Applied Sciencesen_US
dc.typeArticleen_US
dc.volume8en_US
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