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HKSA ANALYSIS AND DOCKING OF ANTIOXIDANT ACTIVITY OF CURCUMIN ANALOGUES AGAINST TYROSINASE ENZYME Chosya, Cahya; Roza, Destria; Nugraha, Asep Wahyu
Jurnal Pendidikan dan Pembelajaran Kimia Vol 13, No 2 (2024): Jurnal Pendidikan dan Pembelajaran Kimia
Publisher : Universitas Lampung

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Abstract

Abstract : The aim of the HKSA and Docking analysis was to determine the potential of curcumin analogues as antioxidants for the activity of the tyrosinase enzyme. Predictor calculations were carried out using the hyperchem application with the CNDO semi-empirical geometric optimization method Multilinear regression analysis using SPSS to find the relationship between predictors and the activity of curcumin analogue derivative compounds as tyrosinase inhibitors. The best HKSA equation model is : LogIC50  : -3.195 – (1.135 x HOMO) + (1.064 x LUMO) - (0.239 x LogP) + (0.155 x HE) With a value of R = 0,984; R­2 = 0,969; Adj R2 = 0,948; SE = 0,183; F count  = 10,209; Sign = 0,000. This equation is used to predict new compounds derived from curcumin analogs that can be used as new tyrosinase inhibitors. The parameters for selecting this compound were because it had better activity and LogIC50 values compared to the parent compound. To see the affinity between the new curcumin analogue derivative compound and the tyrosinase enzyme, docking was carried out using Autodock Tools, which was visualized using Biovia discovery studio. The docking results show that the compound 2,5-bis (4-hydroxy 3-allyl benzylidene) cyclopentanone has potential inhibitory activity on the tyrosinase receptor as an antioxidant activity because it has the same amino acid residue as the original ligand (Tyrosine) with the binding energy of the compound 2,5- bis (4-hydroxy 3-allylbenzylidene) cyclopentanone is -5.92 kcal/mol and the Ki value is 46.03 uM, which is better than the binding energy of the compound (Tyrosine) which is -4.96 kcal/mol and the Ki value is 231.77 uM.Keywords: Curcumin, Tyrosinase, Antioxidant, QSAR, Docking DOI: 10.23960/jppk.v13i2.30560
Synthesis and Characterization of Hexathiosianatoiron(II) [Fe(NCS)6] 4- Complex Compound and Tetrapyridindithiosianatoiron(II) [Fe(NCS)2(Py)4] Complex Compound Febrianti, Fitria; Sutiani, Ani; Jahro, Iis Siti; Nugraha, Asep Wahyu; Fadhila, Nabila Nur
Indonesian Journal of Chemical Science and Technology (IJCST) Vol. 7 No. 1 (2024): JANUARY 2024
Publisher : Universitas Negeri Medan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24114/ijcst.v7i1.56440

Abstract

This research aims to synthesize and characterize the complex compounds Hexathiocyanatoiron(II) [Fe(NCS)6] 4- and Tetrapyridinedithiocyanatoiron(II) [Fe(NCS)2(Py)4]. The synthesis of these complex compounds was conducted in the Chemistry Laboratory, Faculty of Mathematics and Natural Sciences, Medan State University, while magnetic susceptibility measurements were carried out using the Magnetic Susceptibility Balance (MSB) instrument in the Inorganic Chemistry Laboratory, Bandung Institute of Technology. The complex compound synthesis involved the reaction of Iron(II) sulfate heptahydrate with Potassium thiocyanate and Pyridine compound in a 1:2 and 1:2:4 molar ratio. The synthesis process was conducted through a direct reaction method in a polar solvent. The obtained results include Hexathiocyanatoiron(II) complex compound, [Fe(NCS)6] 4-, which is pale yellow crystalline with a yield of 32.76%, and Tetrapyridinedithiocyanatoiron(II) complex compound, [Fe(NCS)2(Py)4] which is dark purple crystalline with a yield of 52.62%. These compounds exhibit a melting point of 219℃. Magnetic susceptibility measurements using the MSB instrument revealed a magnetic susceptibility of 6.69 BM (paramagnetic) for the Hexathiocyanatoiron(II) complex[Fe(NCS)6] 4-, and a magnetic moment of 5.61 BM (diamagnetic) for the Tetrapyridinedithiocyanatoiron(II ) complex [Fe(NCS)2(Py)4].
Synthesis of Zeolite from Rice Husk Ash Through Hydrothermal Process in Alkaline Condition Jahro, Iis Siti; Nursanni, Banu; Nugraha, Asep Wahyu; Juwitaningsih, Tita; Cindy, Cindy; Amalia, Meisya
Indonesian Journal of Chemical Science and Technology (IJCST) Vol. 7 No. 2 (2024): JULY 2024
Publisher : Universitas Negeri Medan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24114/ijcst.v7i2.62257

Abstract

People consider rice husks as agricultural waste. In Deliserdang Regency, in one year's period, 12,600 tons of ash are collected from the burning of around 70,000 tons of rice husk. The synthesis of zeolite from ash of rice husks was carried out by starting process of forming sodium silicate and aluminate compounds through the reaction with Al2O3 and NaOH in water on the room temperature for 10 hours. The results of reaction is refluxed at 70 ï‚°C for 3 hours. After being stored for around 12 hours at room temperature, the reflux process was continued at 120 ï‚°C for 8 hours. Infrared spectra of zeolite show an infrared absorption band in the area of around 440; 606; 745; and 1007 cm-1 which is the typical infrared absorption of zeolite X. This is supported by the XRD diffractogram with the diffraction peaks at 2 degree of 12.34; 17.51; 21.53; 27.90; 28.50 and 33.22 degrees.