Computational screening of phytochemicals targeting mutant KRAS in colorectal cancer.

ABSTRACT: Colorectal cancer (CRC) is cancer of the colon or bowel. Every year, more than 1.8 million cases of colorectal cancer are reported, with 850,000 deaths. There are several genetic causes of this disease. However, one of the main reasons is the overexpressed KRAS gene that can cause uncontrolled cell division and tumor development. The present study is focused on the identification of potential phytochemicals that can inhibit the KRAS protein from being overexpressed in CRC. For this study, phytochemicals were retrieved from the IMPPAT library, which has 17,967 phytochemical compounds. The compounds were further screened based on the ADMET criteria. The screened compounds were then docked against the KRAS protein using a molecular docking approach, and the binding energies were calculated. I

SUBMITTER: Arooj M 

PROVIDER: S-EPMC12329011 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature