Abstract
5-Pentylresorcinol is a type of the group of resorcinol compounds that is resorcinol in that has hydrogen atom at position 5 is replaced by a pentyl group. It has a role as a lichen metabolite. This compound showed excellent to good inhibitory activities against studied these enzymes with IC50 values of 65.96 mu M for urease and 34.81 mu M for tyrosinase. Standard compounds for enzymes had IC50 values of 1.94 +/- 0.24 mu M against urease and 84.36 +/- 5.17 mu M against tyrosinase. The IC50 of 5-pentylresorcinol against MCF7 cell line was 165.72 mu g/mL; against Hs 578Bst cell line was 102.14 mu g/mL; against Hs 319.T cell line was 12.34 mu g/mL; and against UACC-3133 cell line was 73.07 mu g/mL, respectively. The chemical activities of 5-pentylresorcinol against urease and tyrosinase were evaluated using the molecular modeling study. The anti-cancer activity of 5-pentylresorcinol was also investigated by treating the compound on the BRCT repeat region from the breast cancer-associated protein (BRCA1), and their interactions were assessed utilizing the molecular docking calculations. The results revealed the probable interactions and their characteristics at an atomic level. The docking scores of 5-pentylresorcinol against urease, tyrosinase, and BRCA1 are -3.073, -5.262, and -3.238 (kcal/mol), respectively.