Seven types of phenolic acid and inhibitory activity for protein tyrosine phosphatase 1B (PTP1B) from the stem of Sandoricum koetjape

Abstract

AbstractSandoricum koetjapehas been traditionally used in Indonesian medicine for generations. The stem was used as a remedy for helminthiasis, sneezing, stomachache, indigestion, abdominal pain, leucorrhea, colic, and fever in Indonesia. The purpose of this study was to identify the phenolic acids found in the stem ofS. koetjapeand to test their ability to inhibit the protein tyrosine phosphatase 1B (PTP1B). P-coumaric acid, caffeic acid, ferulic acid, chlorogenic acid, syringic acid, 4-hydroxybenzoic acid, and gallic acid were identified as phenolic acids found in theS. koetjapestem. The interaction of phenolic acids with the PTP1B was predicted using molecular docking. PTP1B has been linked to diabetes, obesity, tumors, and Alzheimer’s. The autodock 4.2 program, which is integrated with the pyrx v.09.8 virtual screening tool, was used to conduct the docking studies. Interacting between p-coumaric acid with PTP1-B on amino acids Glu115, Lys116, Lys120, Cys215, Ala217, Gly218, Ile219, Gly220, and Arg221. P-coumaric acid fulfills Lipinski’s rule and therefore can be taken orally. P-coumaric acid is expected to have a high oral bioavailability in humans, great absorption in the intestine, and an equivalent distribution in blood plasma and intestine. P-coumaric acid’s acute toxicity is also expected to be low. P-coumaric acid is also non-toxic to the liver, immune system, mutagenic, and cytotoxic.Sandoricum koetjapephenolic acids, particularly p-coumaric acid, appeared to be an effective PTP1-B inhibitor based on docking results.