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http://dx.doi.org/10.13160/ricns.2022.15.4.153

Phytocompounds from T. conoides identified for targeting JNK2 protein in breast cancer  

Sruthy, Sathish (Computational Biology Laboratory, Department of Genetic Engineering, Faculty of Engineering and Technology, SRM Institute of Science and Technology, SRM Nagar)
Thirumurthy, Madhavan (Computational Biology Laboratory, Department of Genetic Engineering, Faculty of Engineering and Technology, SRM Institute of Science and Technology, SRM Nagar)
Publication Information
Journal of Integrative Natural Science / v.15, no.4, 2022 , pp. 153-161 More about this Journal
Abstract
c-Jun N-terminal kinases (JNKs) are members of MAPK family. Many genes can relay signals that promote inflammation, cell proliferation, or cell death which causes several diseases have been associated to mutations in the JNK gene family. The JNK2 gene is significantly more important in cancer development than the JNK1 and JNK3 genes. There are several different ways in which JNK2 contributes to breast cancer, and one of these is through its role in cell migration. As a result, this study's primary objective was to employ computational strategies to identify promising leads that potentially target the JNK2 protein in a strategy to alleviate breast cancer. We have derived these anticancer compounds from marine brown seaweed called Turbinaria conoides. We have identified compounds Ethane, 1, 1-diethoxy- and Butane, 2-ethoxy as promising anti-cancer drugs by molecular docking, DFT, and ADME study.
Keywords
ADME; cDFT; JNK2; MAPK; Molecular docking; Turbinaria conoides;
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