원문정보
초록
영어
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.
목차
1. Introduction
2. Materials and methods
2.1 Collection of algaeh
2.2 Extraction of phytochemicals from Turbineria conoides
2.3 Preparing Ligands and the Target
2.4 Selection of Binding Site and Molecular docking
2.5 Conceptual DFT
2.6 ADMET prediction
3. Results and Discussion
3.1 Compounds obtained from the extract
3.2 Molecular docking
3.3 cDFT
3.4 ADME prediction
4. Conclusion
References