02106nas a2200241 4500008004100000024000700041245019100048210006900239260001600308300001200324490000700336520128800343653003301631653003001664653001301694653002301707100002801730700002301758700000501781700002101786700002101807856003601828 2023 eng d a0900aPhytochemical Compounds Identification From 70% Ethanol Extract of Arcangelesia Flava (L.) Merr Stems Using LC-MS/MS and In-Silico Molecular Docking Approach as Inhibitor Interleukin-1β0 aPhytochemical Compounds Identification From 70 Ethanol Extract o cAugust 2023 a528-5340 v153 a

Arcangelisia flava (L.) Merr has been traditionally used to treat jaundice, liver disease, diarrhea, fever, and inflammation. Judging from its potential, scientific evidence of this plant extract as an inhibitor of interleukin-1β is still lacking. This study aims to investigate the phytochemical compounds present in the 70% ethanol extract of Arcangelesia flava stems by LC-MS/MS and to elucidate the ligand-protein interactions through in-silico studies. The extract was found to contain alkaloids, flavonoids, furanoditerpene, hydroxyquinoline, phenylpropanoid, phenol, and fatty acids. According to molecular docking of the 15 compounds analyzed by LC-MS/MS, the compounds 3-hydroxy-3',4',5'-trimethoxyflavone (ΔG=-7.72 kcal/mol), fisisaine (ΔG=-6,91 kcal/mol), and demethyleneberberine (ΔG=-6.85 kcal/mol), which demonstrated the highest affinity for binding to the protein target. In addition, active amino acids contribute to this interaction by creating strong hydrogen bonds, such as MET148, LYS 103, and THR300. Phytochemical compounds from Arcangelesia flava may serve as adjunctive therapy or a promising source of advanced structures in drug discovery for treatments targeting interleukin-1β

10aArcangelisia flava (L.) Merr10aInhibitor interleukin-1β10aLC-MS/MS10aMolecular Docking.1 aPratama, Rizki, Rahmadi1 aSholikhah, Irawati1 a1 aSahu, Ram, Kumar1 aWidyowati, Retno uhttps://phcogj.com/article/2073