Modeling of Anthocyanin Derivatives as Anti UV Agents

Rakhman, Khusna Arif; Khadijah, Khadijah; Abdjan, Muhammad İkhlas; Kumendong, Nurbaiti; Puspitasari, Setyani Dian

doi:10.18596/jotcsa.452558

Cited by 4 publications

(3 citation statements)

References 13 publications

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“…The peak with a large oscillator strength taken in the ZINDO/s simulation was expected to be measured at that wavelength by UV-Vis spectrophotometer experiments. Some small oscillator strength may not appear or be measured experimentally at these wavelengths (22,28). showed the greatest absorbance, ie 0.219 at the 325 nm wavelength for the Ni-Phen complex (Table 5).…”

Section: Analysis Of Spectra and Electronic Transitionsmentioning

confidence: 99%

Study of Electronic Transition of Complex Fe (III), Ni (II) and Zn (II)-1.10-Phenanthroline: Modelling and UV-Vis Spectra Analysis

Rakhman

Zam

Umar

et al. 2020

Journal of the Turkish Chemical Society Section A: Chemistry

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Geometric modeling and geometric optimization of Fe(III)-1,10-phenantroline (Fe-Phen), Ni II)-1,10-phenantroline (Ni-Phen) and Zn(II)-1,10-phenantroline (Zn-Phen) compounds have been carried out computing using the semi-empirical method of PM3. The spectral measurements and the study of complex electronic compositions using the UV-Vis spectrophotometer and simulation of ZINDO/s (Zerner's Neglect of Differential Overlap) calculations. The optimum result of the geometry of complex molecule found there is a change of charge in each complex with stable energy. The UV-Vis spectra measurements showed λmax in the Fe-Phen complex: 315.50 nm, Ni-Phen complex: 325.00 nm and Zn-Phen complex: 315.00 nm. The electronic transition occurring at these three complexes shows the transition characteristics of electrons at the level of the molecular orbitals π to π* and the degree of the molecular orbitals n to π⃰. Electron transition energy in complex orbital molecules can be observed in the energy changes of each molecular orbitals.

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Section: Analysis Of Spectra and Electronic Transitionsmentioning

confidence: 99%

Study of Electronic Transition of Complex Fe (III), Ni (II) and Zn (II)-1.10-Phenanthroline: Modelling and UV-Vis Spectra Analysis

Rakhman

Zam

Umar

et al. 2020

Journal of the Turkish Chemical Society Section A: Chemistry

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“…Begitu juga penelitian dari Rahayu & Andriani (2017) pengambilan keputusan metode peramalan terbaik berdasarkan nilai Error MSE terkecil dengan metode peramalan Regresi Linear, hasil dari peramalan digunakan untuk meramalkan permintaan produk 12 bulan ke depan Selain itu juga, telah dilakukan uji verifikasi data dengan menggunakan MRC (Moving Range Chart). Metode peta moving range digunakan untuk memperhatikan kestabilan peramalan, jika tetdapat data yang melewati nilai batas atas (UCL) dan batas bawah (LCL) maka data tersebut out of control (Rakhman & Puspitasari, 2017). Hal ini menunjukkan bahwa metode Linear Regression/Least Squaresyang dipilih layak atau dapat diterapkan karena seluruh data nilai forecast error metode ini tidak ada yang berada diluar batas kendali yakni batas kontrol atas (BKA) maupun batas kontrol bawah (BKB).…”

Section: Pembahasan Hasil Penelitianunclassified

Analisis Peramalan Permintaan Produk Garam Konsumsi Beryodium Pada UD Garam Samudra

Badi'ah

Handayani

2020

Jour. Eco. Dev. Iss

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Dalam dunia bisnis konsumen merupakan faktor penentu agar perusahaan tetap bertahan, sehingga sangat diperlukan pertimbangan untuk pemenuhan permintaan. Strategi perlu diterapkan untuk mengelola permintaan dengan baik yakni melalui peramalan permintaan, karena menyangkut pengambilan keputusan dalam perencanaan untuk memenuhi konsumen. UD Garam Samudra merupakan perusahaan yang bergerak dibidang pengolahan dan perdagangan garam ditahun 2019 mengalami masalah belum terpenuhinya permintaan karena ketidakpastian jumlah permintaan disetiap bulannya. Penelitian ini bertujuan memperoleh metode peramalan permintaan garam konsumsi beryodium di UD Garam Samudra yang tepat untuk memenuhi seluruh permintaan konsumen dimasa akan datang. Data yang digunakan yaitu data permintaan periode Januari–Desember 2019. Teknik analisis peramalan menggunakan Naive Method, Moving Averages, Weighted Moving Averages, Exponential Smoothing, dan Linear Regression dibantuan program QM for Windows. Hasil penelitian menunjukkan metode peramalan terpilih untuk memenuhi permintaan garam konsumsi beryodium di UD Garam Samudra yaitu Linear Regression karena memiliki tingkat kesalahan peramalan berdasarkan kriteria MSE terkecil dibanding metode lainnya.

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“…Around 17 Anthocyanin derivatives have been found in nature and only 6 major anthocyanin derivatives are widely distributed, namely pelargonidin, delphinidin, petunidin, cyanidin, peonidin, and malvidin [15]. The placement of different functional groups in the basic structure of anthocyanin will determine the activity and characteristics of anthocyanin compounds [16]. Some studies report that anthocyanin in the flavonoid group has biological activity as antiviral [17,18].…”

Section: Introductionmentioning

confidence: 99%

In silico approach: Anthocyanin derivatives as potential inhibitors of the COVID-19 main protease

Abdjan¹,

Rakhman²,

Handayani³

et al. 2020

Preprint

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In silico approach has been carried out for the determination of drug candidates from anthocyanin derivative as inhibitors of the COVID-19 main protease. Geometry optimization has performed using the DFT/B3LYP/6-31G(d,p) method as an initial step to prepare candidate ligand. The results of molecular docking showed that candidates C5 and C6 had promising results with a grid score smaller than the ligand reference (X77) with a flexible conformation type. Studies on absorption, distribution, metabolism, excretion, and toxicity of C5 and C6 candidates were conducted to study the physicochemical properties of drug candidates and to show good predictive results as drugs. Molecular dynamic simulation uses the ffSB14 force field for 200 ns to study the interaction between ligand and receptor, the system stability, solvent accessibility, energy interactions, and hydrogen bonds. The results show good interaction stability on the C5 complex compared to the reference ligand which is characterized by the binding free energy value of C5 was -42.77 ± 0.37 kcal/mol and X77 was -42.37 ± 0.41 kcal/mol.

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Modeling of Anthocyanin Derivatives as Anti UV Agents

Cited by 4 publications

References 13 publications

Study of Electronic Transition of Complex Fe (III), Ni (II) and Zn (II)-1.10-Phenanthroline: Modelling and UV-Vis Spectra Analysis

Study of Electronic Transition of Complex Fe (III), Ni (II) and Zn (II)-1.10-Phenanthroline: Modelling and UV-Vis Spectra Analysis

Analisis Peramalan Permintaan Produk Garam Konsumsi Beryodium Pada UD Garam Samudra

In silico approach: Anthocyanin derivatives as potential inhibitors of the COVID-19 main protease

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