Bioactive Compounds as a Potential Inhibitor of Colorectal Cancer; an insilico Study of Gallic acid and Pyrogallol

Colorectal cancer (CRC) is one of the most deadly cancers in the world. The objective of this investigation was to evaluate the protective effect of gallic acid and pyrogallol against CRC development. Previous reports suggest that there is an association present between some tannase-producing bacteria and CRC. Tannase is an enzyme that hydrolyzes tannic acid into gallic acid and pyrogallol. The present study aimed to determine the potential therapeutic effect of these compounds in CRC. Methods: The remedial effects of gallic acid and pyrogallol were studied by determining their descriptor properties and applying molecular docking methods. A total of 100 CRC-causing protein structures were docked in this investigation. Results: The Lipinski Rule of Five and other descriptor properties of the mentioned compounds confirmed their non-toxic and therapeutic nature. According to the molecular docking studies, both GA and pyrogallol showed high binding energies with almost all studied proteins, with maximum values of -38.22 kJ/mol and -33.6 kJ/mol being seen for gallic acid and pyrogallol, respectively. Conclusion: This is the first report on a docking investigation of a large numbers of CRC-related proteins. According to our findings, we conclude that gallic acid and pyrogallol are protective against CRC as they can block the effects of numerous CRC-causing proteins.