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IN SILICO STUDY OF AGLYCON CURCULIGOSIDE A AND ITS DERIVATIVES AS α-AMILASE INHIBITORS Nursamsiar, Nursamsiar; M. Mangande, Maya; Awaluddin, Akbar; Nur, Syamsu; Asnawi, Aiyi
Indonesian Journal of Pharmaceutical Science and Technology Vol 7, No 1 (2020)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijpst.v7i1.23062

Abstract

?-amilase is an enzyme that catalyzes the hydrolysis of starch polysaccharides into oligosaccharides to then produce glucose. Inhibitions of the ?-amylase enzyme is an effective strategy in modulating blood sugar levels in diabetics. The aglycon curculigoside A has similar structure to chalcon which is able to inhibit the ?-amilase enzyme for the treatment of type 2 diabetes. The aim of this study was to determine the interaction of the curculigoside A aglycone compound and its derivatives with the ?-amylase enzyme by using the docking simulation method. Docking simulations were carried out by using AutoDock 4.2 and ?-amilase protein (PDB ID: 1B2Y) as macro molecule. The docking results showed that the aglycone curculigoside A and its derivatives able to interacted into the active site of the ?-amylase enzyme. Three best ligands according to the simulation and prediction tests were compound 10, compound 23, and compound 41 has formed hydrogen bonding to Asp197, Glu233 and Asp300 residues with free bonding energy of -7.29, -7.22, dan -7.84 kcal/mol, respectively. In conclusion, Three best ligands has the same pattern of hydrogen bonds to the native ligand AC1 (6-methyl-5-(4,5,6-trihydroxy-3-hydroxymethyl-cyclohex-2-enylamino)-tetrahydro-pyran-2,3,4-triol) via amino acids redisues of ?-amylase that play a role in the substrate by hydrolysis process.Keywords: aglycon curculigoside A, ?-amylase, diabetes, docking 
Korelasi Antara Kadar Total Flavonoid dan Fenolik dari Ekstrak dan Fraksi Daun Jati Putih (Gmelina Arborea Roxb.) Terhadap Aktivitas Antioksidan: Correlation Between Total Phenolic and Flavonoid Contents of Jati Putih (Gmelina arborea Roxb.) Leaves Extract and Fraction Toward Antioxidant Activity Nur, Syamsu; Sami, Fitriyanti Jumaetri; Awaluddin, Akbar; Afsari, Mutiara Indah Ayu
Jurnal Farmasi Galenika (Galenika Journal of Pharmacy) Vol. 5 No. 1 (2019): (March 2019)
Publisher : Universitas Tadulako

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (153.042 KB) | DOI: 10.22487/j24428744.2019.v5.i1.12034

Abstract

This experiment aims to determine the correlation of total phenolic and flavonoid content of jati putih leaves fraction (Gmelina arborea Roxb.) towards Antioxidant activity .  Sample was extracted by maceration method using ethanol 70% to obtain the ethanol extract (EE), followed by liquid-liquid extraction method to obtain fraction of ethyl acetate (EA) and n-Hexane (EH). The phytochemical screening  and determination of total phenolic and flavonoid content were done by colorimetric method. Antioxidant activity were done by DPPH, FRAP and ABTS methods. Phytochemical screening showed positive results for flavonoids, phenolic and saponins.  The largest total phenolic content was found on EA (11,59 µg/ml ± 0,3 %b/b EAG) and the largest total flavonoid content was on EA (3,88 µg/ml ± 0,02 %b/b EK). The total phenolic and flavonoid content of Jati putih leaves has a correlation with antioxidant activity. The coefficient correlation of activity on reducingDPPH radical was 56,7% (total of phenolic content) and 57,8% (total of flavonoid content) and on iron reduction power in FRAP method  was 99,9% (total of phenolics and flavonoids content). The relationship with the activity in reducing radical ABTS obtained coefficient correlation of 57,0% and 58,1% for total phenolic and flavonoids contents, respectively.