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- W2491401074 abstract "Molecular docking has a significant application in finding the targets involved in cancer meta stasis. A positive correlation between the vigourness of tumor and expression of various proteases has been established, which includes serine proteases like furin and uPA, matrix metalloproteinases such as membrane type 1 MMP and tissue inhibitor of metalloproteinases, cysteine proteases such as cathepsin B & S and aspartate protease like cathepsin D. Virtual screening based on structure and post-screening analysis are routinely used in search of novel lead compound and its optimization. In the present study, the binding energy of coralyne with various metastatic proteases was analyzed using in silico docking tools such as iGEMDOCK v2.1, hex v6.3 and patch dock. The analysis of results indicates that coralyne exhibited significantly good binding affinity with furin and uPA predicting the possibility of coralyne in regulating cancer invasion and metastasis. Further, protein-protein network was analyzed using STRING version 10 based on KEGG pathways and clustered into groups using on MCL and k-mean algorithms to unfold its interacting partners proteins in cancer metastasis." @default.
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- W2491401074 date "2016-01-01" @default.
- W2491401074 modified "2023-10-16" @default.
- W2491401074 title "Coralyne Targets Proteases Involved in Cancer Progression: An In Silico Study" @default.
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- W2491401074 doi "https://doi.org/10.1007/978-981-10-0308-0_2" @default.
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