Nunung Yuniarti
Department of Pharmacology and Clinical Pharmacy, Faculty of Pharmacy, Universitas Gadjah Mada

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KONSTRUKSI STRUKTUR TIGA DIMENSI FITOESTROGEN HASIL KONVERSI DARI SMILES STRING REPRESENTATIONS UNTUK SIMULASI PENAMBATAN MOLEKULER MENGGUNAKAN SOFTWARE PLANTS Enade Perdana Istyastono; Nunung Yuniarti
Majalah Obat Tradisional Vol 21, No 2 (2016)
Publisher : Faculty of Pharmacy, Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (881.534 KB) | DOI: 10.22146/tradmedj.12820

Abstract

Phytoestrogens have some important biological effects and could be employed as medicinal resources, for example as cancer chemopreventive agents. Phytoestrogen is defined as a phytochemical that has estrogenic or anti estrogenic effects. However, there is no database providing comprehensive list of phytoestrogen structures. In computer-aided drug discovery, the database is required to perform virtual screening for retrospective validation and structure-based drug design. The research presented in this article attempted to collect a comprehensive list of phytoestrogen structures. Subsequently, the structures were prepared in their three dimensional structures using SPORES1.3 for molecular docking simulations using PLANTS1.2. The ready-to-dock structures were then stored online as phytoestrogens.zip and could be downloaded from http://molmod.org/phytoestrogens.zip. This database contains 30 ready-to-dock unique phytoestrogens with total of 53 different configurations.
Antioxidant Activity and Pancreatic Lipase Inhibition of Curcuma aeruginosa Roxb Rhizome Fractions Ririn Suharsanti; Subagus Wahyuono; Nunung Yuniarti; Puji Astuti
Jurnal Biodjati Vol 9 No 2 (2024): November
Publisher : UIN Sunan Gunung Djati Bandung

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15575/biodjati.v9i2.33900

Abstract

Antiobesity with a lipase inhibitor mechanism will block the hydrolysis of triglycerides into fatty acids and glycerol, while antioxidant compounds are very useful in conditions of obesity to prevent excess damage from degenerative diseases. Curcuma aeruginosa Roxb extract has been proven to have the effect of inhibiting pancreatic lipase so further effects will be seen at the fraction level. The purpose of this research is to investigate the phytochemical components ,antioxidant activity and pancreatic lipase inhibition of Curcuma aeruginosa Roxb fractions. Ethanolic extract of the Curcuma aeruginosa Roxb rhizome was separated using the solid-liquid chromatography with 3 different solvents (n-hexane, ethyl acetate, ethanol) to give n-hexane (HF), ethyl acetate (EAF), and ethanol (EF), and the insoluble (IF) fractions. Each fraction detected phenolics, flavonoids, alkaloids, tannins, saponins, triterpenoids/steroids. EF has the highest total flavonoid and phenolic content. Antioxidant activity of all fractions were measured using DPPH reduction, ABTS, and FRAP methods. The best antioxidant activity of all fractions using the DPPH method was EF with IC50 21.93 ± 3.39µg/mL, ABTS method was HF with IC50 24.56±1,03 µg/mL and FRAP method was IF with IC50 20.79±1,03 µg/mL. Totals of phenolics and flavonoids in EF strongly support the antioxidant activity of the DPPH method. The highest inhibition of pancreatic lipase was found in EAF at 35.16±0.24 % (100 µg/ml). There was significant difference between EAF and xenical (orlistat) (p