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Journal : Indonesian Journal of Chemistry

Bioactive Compound Profile and Biological Modeling Reveals the Potential Role of Purified Methanolic Extract of Sweet Flag (Acorus calamus L.) in Inhibiting the Dengue Virus (DENV) NS3 Protease-Helicase Yuli Arif Tribudi; Ayu Tri Agustin; Dian Eka Setyaningtyas; Dwi Gusmalawati
Indonesian Journal of Chemistry Vol 22, No 2 (2022)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.68317

Abstract

Dengue fever is an infectious disease caused by the dengue virus, and there is no yet effective drug to treat this disease successfully. Our study aimed to identify the bioactive compounds of Acorus calamus L. and its potential role in inhibiting dengue virus NS3 protease-helicase. Liquid Chromatography-Mass Spectrometry analyzed phytochemical constituents. Drug-likeness of the predominant compound methanol extract of Acorus calamus L. was investigated through the SWISS ADME server. Complex molecular interactions were investigated by Hex 8.0 docking program and Discovery studio 2016. Our study revealed that the five largest phytochemicals in the extract were acoric acid, acorone, acoradin, acoronene, and calamendiol. All predominant compounds are potent to be developed as drug candidates. Molecular docking results showed that the five compounds bind to the Arg599, Pro291, Lys388, Pro431, and His487 of the dengue virus NS3 protease-helicase, the ligand-binding site that plays an essential role in viral replication. The ligand-protein binding pattern exhibited hydrogen and hydrophobic interactions. The interaction of the acoradin-NS3 protease-helicase complex had the lowest binding energy of -299.7 kcal/mol. In summary, we conclude that Acorus calamus L. extract may have prospects as a drug for dengue virus infection.
Java Red Rice (Oryza sativa L.) Nutritional Value and Anthocyanin Profiles and Its Potential Role as Antioxidant and Anti-Diabetic Ayu Tri Agustin; Anna Safitri; Fatchiyah Fatchiyah
Indonesian Journal of Chemistry Vol 21, No 4 (2021)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.64509

Abstract

This study investigates nutritional value, amino acid profile, and total anthocyanin in pigmented rice as an antioxidant and anti-diabetic agent. Six rice varieties were extracted using 0.1% HCl in methanol, namely four red rice, one black rice, and one white rice. Rice extract was used for proximate analysis and amino acid profiling. Total anthocyanin was measured and identified by ultraviolet-visible (UV-Vis) spectrophotometer and thin-layer chromatography (TLC). The antioxidant activity was determined using Ferric-reducing antioxidant power (FRAP) assay, and the α-amylase enzyme-inhibited by anthocyanin extract of red rice as anti-diabetic was measured. The study result showed that the proximate level (carbohydrate, protein, lipid, water, and ash) in pigmented rice was different. Cempo merah red rice is a source of amino acids, both essential and non-essential amino acids that act as good nutrition. The highest total anthocyanin level between red rice varieties of 10.87 mg/g was found in Aek sibundong red rice. High biological function activities as an antioxidant were indicated by Aek sibundong red rice with an IC50 value of 6.65 µg/mL. Aek sibundong red rice shows the lowest IC50 value of 144.46 µg/mL in anti-diabetic activity. Thus, Aek sibundong red rice may have the potential as α-amylase inhibitor for diabetes prevention.