Virtual screening of antidiabetic compounds from common-urban herbs in Indonesia based on alpha-amylase inhibition

Abstract

The common-urban herb (c-uh) plants in Indonesia were known as TOGA plants that can use as traditional medicines hence can improve the quality of health and the economy. Since the diabetic case in the city is usually high prevalence, the investigation of c-uh potential for diabetic medicines are strategic due to its accessibility. Recently, the activity of herbal bioactive compounds for medical purposes can be screened prior to in vitro or in vivo tests, including for diabetic medicine. One of the diabetic treatments is conducted by decreasing glucose absorption in the intestine via alpha-amylase inhibition. This research was aimed to obtain the potential of bioactive compounds from six Indonesian c-uhs (Imperata cylindrica, Cassia siamea, Apium graveolens, Catharanthus roseus, Physalis angulata, and Peperomia pellucida) using the molecular docking method. The bioactive compounds were selected referred to several references, i.e Cylindrene, Dihydroquercetin, Limonene, Lochnerine, Vindolidine, Withangulatin-A, and Yohimbine which were used as ligands. The 3D of ligands were obtained from the PubChem and then screened virtually of each binding affinity toward the alpha-amylase using PyRx method. The results showed that Withangulatin-A from Physalis angulata has the highest potential among other candidates for bioactive compounds as alpha-amylase inhibitors for antidiabetic treatment.