In-silico analysis of potential phytochemicals targeting mitogen activating protein kinase-14 (MAPK14) gene in colorectal cancer
Year: 2025
Type: article
Abstract: A significant percentage of colorectal cancer (CRC) diagnoses are associated with overexpression of the MAPK14 gene MAPK14 gene or p38 MAPK. It is overexpressed in most cases of colorectal cancer (CRC) and is an important factor for tumor development. CRC is among the most common causes of cancer-related deaths globally It is potent to target this gene for therapeutic intervention because it is important for tumor immune evasion, cell proliferation, survival, and resistance to therapy. By developing treatment techniques that target MAPK14 is a promising approach. In this study, we employed in silico methods to evaluate the potential of phytochemicals as inhibitors of MAPK14, which is overexpressed in CRC. We also included Fruquintinib, an FDA-approved anticancer drug, as a reference compound for molecular docking with MAPK14. Compounds meeting acceptable ADMET profiles were further analyzed using molecular docking, DFT, and MD simulations to identify potential MAPK14 inhibitors. Compound 1 (CID: 44586092) was discovered in our investigation to be a potential therapy for CRC associated with MAPK14.
Source: Scientific Reports
Institutions: University of Management and Technology, University of the Punjab, Azerbaijan State University of Economics, University of Agriculture Faisalabad, Wenzhou-Kean University, Kean University, University of Nottingham Ningbo China, Khazar University, ILMA University, Northern Border University, Princess Nourah bint Abdulrahman University, University of Bisha
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $2,690
Award: G730238858
OpenAlex ID: W4411913142