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Journal : Journal of Bio-molecule Research And Engineering

Evaluation on Bioactive Secondary Metabolites from Fingerroot (Boesenbergia rotunda) as a Potent α-Glucosidase Inhibitor: In silico Study: In silico Study Firdaus, Yazdaniar Fajri Halimi; Hariyanto, Nova Alfian; Kurnia, Irmayanti Tri; Lestari, Dinda Ayu; Suwandari, Suhartini; Haq, Kautsar Ul; Phuwapraisirisan, Preecha; Ramadhan, Rico
Journal of Bio-Molecule Research and Engineering Vol 2 No 1 (2023)
Publisher : Universitas Airlangga

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20473/jbiome.v2i1.51981

Abstract

Fingerroot (Boesenbergia rotunda) is a medicinal plant that has been reported to have anti-diabetic properties. However, the mechanism of action and the active compounds responsible for this effect are not well understood. In this study, we performed molecular docking study of isolated compound from fingerroot against N-terminal-human intestinal maltase-glucoamylase, one class of α-glucosidase. Inhibiting enzymatic activity of alpha glucosidase could potentially control sugar levels. In addition to panduratin A showing moderate inhibition activity against N-terminal-human intestinal maltase-glucoamylase.
Semi-empirical study of acetic acid esterification and methyl ester transesterification reactions with Nafion catalyst using PM7 level of theory Alfian, Fariz R.; Faiq, Farly Y.; Rizaldy, Rafli; Haq, Kautsar Ul
Journal of Bio-Molecule Research and Engineering Vol 1 No 2 (2022)
Publisher : Universitas Airlangga

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20473/jbiome.v1i2.51930

Abstract

Nafion, as a highly acidic catalyst, is appropriate for application in both esterification and transesterification reactions. Nevertheless, its computational efficacy hasn't been explored yet. A semi-empirical approach employing the PM7 theory was utilized to determine the configurations of reactants, transition states, intermediates, and products, along with the energetics of the reactions. The findings indicate that, with Nafion catalysts, a 6-ring complex is formed in both reactions, and the rate-determining step occurs at the initial activation energy. Additionally, a quantum leap in reaction kinetics was observed in the presence of the Nafion catalyst, leading to an accelerated reaction rate.