Identification and in silico evaluation of natural compounds from Annona muricata (soursop) leaves for colon cancer treatment.

ABSTRACT: Annona muricata (soursop), a traditional medicinal plant renowned for its anticancer properties due to annonaceous acetogenins, was investigated to identify potent phytochemicals targeting colon cancer. Considering the significant role of genetic mutations such as MLH1 in colorectal carcinogenesis, this study aimed to explore natural compounds with therapeutic potential. Gas chromatography-mass spectrometry (GC-MS) analysis identified 52 phytochemicals from A. muricata, which were filtered through Lipinski's rule of five to select 14 drug-like candidates. Molecular docking using PyRx prioritized seven compounds-alpha-tocopherol, 4,6-O-benzylidene-D-galactose, methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate, (5 S)-2(3 H)-furanone dihydro-5-methyl-5-phenyl-, (2R,3R,4aR,5 S,8aS)-2-hydr

SUBMITTER: Ali MY 

PROVIDER: S-EPMC12775438 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature