Virtual Screening of Alpha Glucosidase Inhibition Using Common-Urban Herbs in Indonesia

Abstract

Indonesia as a mega-biodiversity country have rich potential of herbal medicine that can growth easily at rural and urban area. Recently, Indonesian urban people are encouraged to have their own family herb plants namely tanaman obat keluarga or TOGA, which can increasing the health quality as well as economically. The urban herbs that are commonly planted may have esthetical and medical purposes. However the common urban herbs for medical purposes have not been proved yet scientifically. The objective of this study was to screening virtually the antidiabetic potential of bioactive compounds in common-urban herbs including Catharanthus roseus, Peperomia pellucida, Areta catechu, Physalis angulata, Apium graveolens, Imperata cylindrica, and Cassia siamea. Based on the references we selected the candidate of bioactives that contained in those common urban herbs such as Lochnerine, Cylindrene, Dihydroquercetin, Limonene, Vindolidine, Withangulatin-A, and Yohimbine. The selected bioactives were performed as ligands which their 3D structure were searched from the database of Pubchem prior to molecular docking analysis toward alpha glucosidase using PyRx method. Among the selected bioactives from common urban herbs, we found that withangulatin-A from Physalis angulata has the highest potential of antidiabetic medicine herbal via alpha glucosidase inhibition.