Structural Diversity and Role of Phytochemicals against P38-α Mitogen-activated Protein Kinase and Epidermal Growth Factor Receptor Kinase Domain: A Privileged Computational Approach
| Autor: | P. Sushma, Shivalingaiah, Chandrashekar Srinivasa, Anisha S. Jain, Shiva Prasad Kollur, Chandan Shivamallu, Amar Shankar, S. M. Gopinath, Sharanagouda S. Patil |
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| Rok vydání: | 2021 |
| Předmět: |
biology
Chemistry p38 mitogen-activated protein kinases Structural diversity binding energy Applied Microbiology and Biotechnology Microbiology QR1-502 Domain (software engineering) Cell biology Epidermal Growth Factor Receptor Kinase phytomolecules Mitogen-activated protein kinase docking egfr biology.protein hydrophobic mapk Biotechnology |
| Zdroj: | Journal of Pure and Applied Microbiology, Vol 15, Iss 4, Pp 2263-2269 (2021) |
| ISSN: | 2581-690X 0973-7510 |
| DOI: | 10.22207/jpam.15.4.48 |
| Popis: | Computational databases and tools in recent times have been proved to provide an essential aid for anticancer studies in the field of oncology. Molecular docking studies facilitate the structural diversity of plant-derived phytomolecules having anticancer properties against receptor proteins involved in cancer signaling pathways. The current study involves the investigation of phytocompounds-agasthisflavone, anacardic acid, zoapatanolide A, a purified product of the plant extract Amarogopinois546 were subjected to docking studies on p38-α MAPK and EGFR Kinase domain. The effectiveness of this study was evaluated by comparing the docking interactions of a standard drug, doxorubicin against the receptor molecules. The docking study is analyzed by compound estimated with lowest binding energy is considered to have the highest affinity towards the active site of the receptor proteins. The isolated plant compound Amarogopinois546 displayed the least binding score with a large number of hydrogen bonds and hydrophobic interactions towards the P38α MAP kinase receptor in comparison with the EGFR kinase domain. This preliminary result can strongly be supported for carrying out experimental evaluation in near future. |
| Databáze: | OpenAIRE |
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