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All Journal Indonesian Journal of Pharmaceutical Science and Technology Jurnal Farmasi Klinik Indonesia Journal of The Indonesian Society of Integrated Chemistry
Khairinisa, Miski Aghnia
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Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Education Medicine & Pharmacology

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The Binding Mode and Molecular Dynamics of Epigallocatechin and Epigallocatechin Gallate with Human Superoxide Dismutase 1 in Complex with a Naphthalene-Catechol Linked Compound Levita, Jutti; Bawono, Lidya Cahyo; Khairinisa, Miski Aghnia; Jiranusornkul, Supat; Megantara, Sandra; Ikhsan, Muhammad
Indonesian Journal of Pharmaceutical Science and Technology Vol 11, No 1 (2024)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijpst.v11i1.51034

Abstract

Superoxide dismutases (SODs) are metalloenzymes that defend the body against reactive oxygen species and contribute to combating inflammation. Human cells have three distinct SODs, i.e., manganese SOD (MnSOD), extracellular SOD(ECSOD), and copper-zinc SOD (Cu-ZnSOD) or SOD1. The crystal structure of human SOD1 in a complex with a naphthalene-catechol-linked compound revealed hydrogen bonds and hydrophobic interaction. Catechins arepolyhydroxylated polyphenols contained in the leaves of Camellia sinensis L. This work aims to study the binding mode and molecular dynamics of two major catechins, epigallocatechin (EGC) and epigallocatechin gallate (EGCG) with human SOD1 (in complex with SBL1, a naphthalene-catechol linked compound). Both catechins demonstrated a binding mode with the enzyme, in terms of hydrogen bonds and hydrophobic interaction, similar to the native ligand (SBL1). Of the two catechins, EGC possesses a better binding affinity (docking score of -4.15 kcal/mol) for human SOD1 compared to EGCG (docking score of -4.02 kcal/mol), thus the EGC-SOD1 complex was continued in MD simulation to investigate the conformational stability and time-dependent ligand binding ability in the binding pocket. The molecular dynamics simulation confirmed that EGC is more stable than the native ligand, SBL1, with the RMSD average value of SBL1 and EGC being 1.1669 Å and 0.5607 Å, respectively. Taken together, this study confirms the antioxidant activity of catechins in C. sinensis L.
Quantitative Analysis of Mineral in Seawater Concentrate from Pamekasan, Madura Using XRF and ICP-OES Methods Hartesi, Barmi; Wardhana, Yoga Windu; Muhaimin, Muhaimin; Sriwidodo, Sriwidodo; Khairinisa, Miski Aghnia; Dewi, Mayang Kusuma; Chaerunisaa, Anis Yohana
Journal of The Indonesian Society of Integrated Chemistry Vol. 16 No. 1 (2024): Journal of The Indonesian Society of Integrated Chemistry
Publisher : Pendidikan Kimia FKIP Universitas Jambi

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22437/jisic.v16i1.34656

Abstract

Seawater concentrate from Pamekasan is a product with high mineral content. The mineral content analysis of Pamekasan seawater concentrate was conducted using a comparative test of results from X-Ray Fluorescence Spectrometry (XRF) and Inductively Coupled Plasma Optical Emission Spectrometry (ICP-OES). This mineral content testing used a skin moisture device. The essential minerals found in Pamekasan seawater concentrate through analysis are Mg, Cl, K, Ca, Cr, Mn, Cu, and Zn. Statistical analysis results from XRF and ICP-OES on market products showed no significant difference in average results; however, there was a significant difference in average results in the samples. The most recommended method for analyzing seawater mineral concentrate from Pamekasan is ICP-OES due to its wider detection range and lower matrix interference.
Pharmacokinetics and Pharmacodynamics of Glyburide: Insights for Optimizing Treatment in Type 2 Diabetes Alfaqeeh, Mohammed; Khairinisa, Miski Aghnia; Permana, Hikmat
Indonesian Journal of Clinical Pharmacy Vol 13, No 2 (2024)
Publisher : Universitas Padjadjaran

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15416/ijcp.2024.13.2.48713

Abstract

Glyburide is a widely used oral antidiabetic agent for managing type 2 diabetes. Despite its long history, evolving insights into its pharmacokinetics (PK) and pharmacodynamics (PD) have highlighted knowledge gaps, especially in the context of genetic variability, drug-drug interactions, and use in special populations. This narrative scoping review synthesizes recent evidence to provide a comprehensive and updated understanding of glyburide’s PK/PD profiles.  A thorough literature search of studies published in English, including manual reference checks, was conducted. Glyburide exhibits complex pharmacokinetics, extensive absorption throughout the gastrointestinal tract, significant plasma protein binding, hepatic metabolism via CYP2C9 and CYP3A4 enzymes, and predominantly renal elimination. Its pharmacodynamic effects involve stimulating insulin secretion and enhancing peripheral insulin sensitivity. Common side effects include hypoglycemia and weight gain, while drug-drug interactions and monitoring are crucial for safe and effective use. Understanding glyburide’s pharmacokinetics and pharmacodynamics is key to optimizing diabetes management. Tailoring dosages based on patient factors can improve efficacy, minimize adverse effects, and enable personalized care. Further research on genetic influences, drug interactions, and its use in special populations is needed to refine treatment strategies and enhance safety and effectiveness.
Co-Authors Alfaqeeh, Mohammed Anis Yohana Chaerunisaa, Anis Yohana Barmi Hartesi Bawono, Lidya Cahyo Hikmat Permana Jiranusornkul, Supat Jutti Levita MAYANG KUSUMA DEWI, MAYANG KUSUMA Megantara, Sandra Muhaimin Muhaimin Muhammad Ikhsan Sriwidodo Sriwidodo, Sriwidodo Yoga Windu Wardhana, Yoga Windu