Master of Science (M.Sc) in Biology Department, Brawijaya University
RESEARCH INTERESTS
Biomedical Science
6
Scopus Publications
Scopus Publications
An Insight on Potential Role of Glucomannan, Mannan, and Flavonoids in Porang Tubers (Amorphophallus muelleri Blume) as Anti-Diabetic Through the Alpha-amylase Inhibition D. Gusmalawati, R. Azrianingsih, Muhamad Agus Wibowo, Yuli Arif Tribudi, Diah Wulandari Rousdy, Didik Wahyudi, Ayu Tri, Nashi Widodo Jordan Journal of Biological Sciences, 2024 Exploring the natural product as a potential alpha-amylase inhibitor with no adverse side effects is still being concerned in developing diabetes mellitus drugs. This study aims to identify the phytochemical components of porang tuber extract. We also investigated bioactivity and predicted the biological function of the porang tubers bioactive in inhibiting human pancreatic alpha-amylase. The phytochemical components were analyzed by Liquid Chromatography Mass Spectrophotometry (LCMS). We investigated the biological activity of compounds as anti-diabetic agents by the PASS server. The 3D structure of the active compound that was showing anti-diabetic activity was prepared using PyRx software. Docking simulations were analyzed using Hex 8.0 software, while for visualization Discovery Studio Client 4.1 software was used. Our study found the presence of 67 phytochemical constituents in porang tuber extract. The five largest compounds with anti-diabetic activity are glucomannan, mannan, and flavonoids (quercetin, orientin, and hyperoside). PASS analysis showed that glucomannan and mannan had the most potential as anti-diabetic. It was determined by the Pa value of 0.77. The active sites of alpha-amylase (ASP197, GLU233, and ASP300 residues) were bound by glucomannan, mannan, orientin, and hyperoside, which plays an essential role in catalytic activity. Glucomannan showed the strongest interaction with the pancreatic alpha-amylase domain (lowest binding energy -394.1 kcal/mol). This result indicates that porang tubers are very potential as an alpha-amylase inhibitor. Further research is needed to validate this finding.
Phytochemical profiling and antidiabetic evaluation of Peperomia pellucida as a potential alpha-glucosidase inhibitor Sholihatil Hidayati, Ayu Tri Agustin, Eni Kartika Sari, SHINTA MAYA SARI, Rian Anggia Destiawan, et al. Biodiversitas, 2023 Abstract. Hidayati S, Agustin AT, Sari EK, Sari SM, Destiawan RA, Silvana WA. 2023. Phytochemical profiling and antidiabetic evaluation of Peperomia pellucida as a potential alpha glucosidase inhibitor. Biodiversitas 24: 5972-5978. One strategy in post-prandial hyperglycemic control can be done by inhibiting the digestion of dietary carbohydrates through the inhibition of alpha glucosidase enzymes. This study was conducted to determine the antidiabetic activity of Peperomia pellucida in inhibiting the alpha glucosidase. An inhibitory activity analysis test was carried out on alpha glucosidase in vitro and in silico using alpha glucosidase. Molecular docking between receptors and ligands was performed using Hex 8.0 software. The setting column is set in Shape+Electro+DARS mode. The results showed ethanol extract and ethyl acetate fraction in vitro showed the ability to inhibit the activity of alpha glucosidase enzyme with C50 values of 13.43 mg/mL and 9.73 mg/mL respectively with IC50 positive control acarbose values of 8.11 mg/mL. The results of in silico analysis showed that the Patuloside A component was able to bind to the binding site of alpha glucosidase and gave the smallest binding energy value with a value of -321.4 kcal/mol compared to isovitexin, isoswertisin, pellucidatin, and caryatin-7-O-?-rhamnoside compounds. P. pellucida has the potential to be developed as an antidiabetic agent that has activity in inhibiting the work of the enzyme alpha glucosidase so that it can reduce blood glucose levels.
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, 2022 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, 2021 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.
An in silico approach reveals the potential function of cyanidin-3-o-glucoside of red rice in inhibiting the advanced glycation end products (AGES)-receptor (RAGE) signaling pathway Ayu Agustin, Anna Safitri, Fatchiyah Fatchiyah Acta Informatica Medica, 2020 Introduction: Advanced glycation end products (AGEs) contribute to the pathogenesis of chronic inflammation, diabetes, micro and macrovascular complications, and neurodegenerative diseases through the binding with RAGE. Natural compounds can act as an alternative in disease therapy related to the AGEs-RAGE interactions. Cyanidin-3-O-glucoside is one of the potential anthocyanins found in red rice. Cyanidin-3-O-glucoside in red rice may interfere with the AGEs-RAGE signaling so that the potential mechanism of their interaction needs to be elucidated. Aim: This study aimed to investigate the potency of cyanidin-3-O-glucoside in red rice as an inhibitor of AGE-RAGE signaling pathway through in silico analysis. Methods: Our study used the 3D structures of AGEs and Cyanidin-3-O-glucoside compounds from PubChem and Receptor for AGEs (RAGE) from the RCSB Protein Data Bank (PDB) database. The molecular interactions of those compounds and RAGE were established using Hex 8.0 software, then visualized using Discovery Studio 2016 software. Results: Argypirimidine, pentosidine, pyrralline, and imidazole bound to the ligand-binding domain of RAGE with the binding energy of -247 kcal/mol, -350.4 kcal/mol, -591.1 kcal/mol, and -100.4 kcal/mol, respectively. The presence of cyanidin-3-O-glucoside in the imidazole-RAGE-cyanidin-3-O-glucoside complex could inhibit the interaction of imidazole-RAGE with a binding energy of -299 kcal/mol, which was lower than of imidazole-RAGE complex. The establishment of AGEs-Cyanidin-3-O-glucoside-RAGE complex showed that cyanidin-3-O-glucoside, which bound first to Argypirimidine and Pyrralline, could bound to RAGE at the same residue as those two AGEs did with the binding energy of -411.8 kcal/mol and -1305 kcal/mol, respectively. Based on the binding site location and energy, cyanidin-3-O-glucoside might have a biological function as an inhibitor of AGEs-RAGE interactions, which was more likely through the establishment of AGEs-cyanidin-3-O-glucoside-RAGE. Conclusion: This study suggests that cyanidin-3-O-glucoside in red rice can be a potential AGEs-RAGE inhibitor, leading to the regulation of the pro-inflammatory and oxidative damage in the cellular pathway.
