Article Per Year (5 Year)
p-Index From 2021 - 2026
2.63
P-Index
This Author published in this journals
All Journal HAYATI Journal of Biosciences JURNAL KIMIA SAINS DAN APLIKASI Current Biochemistry Indonesian Journal of Pharmaceutical Science and Technology ALCHEMY Jurnal Penelitian Kimia Indonesian Journal of Chemistry QARDHUL HASAN: MEDIA PENGABDIAN KEPADA MASYARAKAT Jurnal Farmamedika (Pharmamedica Journal) Indonesian Journal of Applied Research (IJAR) Jurnal Riset Matematika
Rini Kurniasih, Rini
Department Of Biochemistry, Faculty Of Mathematics And Natural Sciences, Bogor Agricultural University, Kampus IPB Dramaga, Bogor 16680, West Java
Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Earth & Planetary Sciences Education Energy Engineering Environmental Science Immunology & microbiology Languange, Linguistic, Communication & Media Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Social Sciences Other

Published : 14 Documents Claim Missing Document
Claim Missing Document
Check
Articles

Found 2 Documents
Search
Journal : JURNAL KIMIA SAINS DAN APLIKASI

 1 
In Silico Screening of Cinnamon (Cinnamomum burmannii) Bioactive Compounds as Acetylcholinesterase Inhibitors Zatta Yumni Ihdhar Syarafina; Mega Safithri; Maria Bintang; Rini Kurniasih
Jurnal Kimia Sains dan Aplikasi Vol 25, No 3 (2022): Volume 25 Issue 3 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (467.877 KB) | DOI: 10.14710/jksa.25.3.97-107

Abstract

Alzheimer’s is a progressive and neurodegenerative disease that mainly affects people aged 65 years and older. The pathophysiology of Alzheimer’s is possibly related to the depletion of the neurotransmitter acetylcholine (ACh) due to beta-amyloid plaques and neurofibrillary tangles. Secondary metabolites found in cinnamon bark (Cinnamomum burmannii) have the potential as anticholinesterases to treat Alzheimer’s symptoms. This study aimed to identify the potency of bioactive compounds from cinnamon bark as AChE inhibitors in silico through analysis of binding energy, inhibition constants, and types of interactions. The research was conducted by screening virtually 60 test ligands using the PyRx program and molecular docking using the Autodock Tools program. The results of the ligand-receptor interaction analysis showed that 12 of the 15 tested ligands had potential as AChE inhibitors. Epicatechin and medioresinol are the ligands with the best potential for AChE inhibition with affinity close to the natural ligand or donepezil. Epicatechin has a binding energy of −10.0 kcal/mol and inhibition constant of 0.0459 M, with four hydrogen bonds and seven hydrophobic bonds. Meanwhile, medioresinol has −9.9 kcal/mol binding energy and inhibition constant of 0.0543 M, with one hydrogen bond and thirteen hydrophobic bonds.
The potential of Myricitrin, a Flavonoid Compound in Eugenia polyantha from Indonesia, as an Antiviral Drug for SARS-Cov-2 through the Molecular Docking Analysis Syamsul Falah; Laksmi Ambarsari; Dimas Andrianto; Rini Kurniasih; Sanro Tachibana
Jurnal Kimia Sains dan Aplikasi Vol 26, No 5 (2023): Volume 26 Issue 5 Year 2023
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.26.5.166-177

Abstract

A Flavonoid glycoside compound, isolated and identified from E. polyantha as myricitrin, was analyzed as a ligand for its molecular binding activity against SARS-CoV-2 protein (receptor binding domain on Spike/RBD, main protease/nsp5, EndoRNAse, RNA-dependent-RNA-polymerase/RdRp), and its receptor, ACE2, and computationally assessed via molecular docking method. This study aims to determine the potential of myricitrin in E. polyantha from Indonesia as an antiviral drug for SARS-CoV-2 through molecular docking and molecular dynamic simulation analysis. The results showed that the myricitrin had the strongest binding affinity energy towards the three important SARS-CoV-2 proteins, namely endoRNAse, main protease (3CLpro), and RdRp with ∆G values of −9.60 kcal/mol, −8.40 kcal/mol, and −8.30 kcal/mol, respectively. These values are stronger than the comparator ligands of favipiravir (−5.60 kcal/mol), atazanavir (−7.20 kcal/mol), and remdesivir (−7.70 kcal/mol). This indicated that the compound has the potential as an inhibitor against 3CLpro, endoRNAse, and RdRp of SARS-CoV-2 proteins. This result was supported by the prediction made according to the Molprobity and PASS Online web servers, which showed that myricitrin has high bioactivity potential as an enzyme inhibitor (with a score of 0.38) and antiviral (with a score of 0.704).
Co-Authors Achyar, Catellia Auliany Akhiruddin Maddu Akhmad Endang Zainal Hasan Ambarsavitri, Rahmadhani AYU LESTARI Aziz Syamsul Huda Destiandani, Khansa Didi Suhaedi DIMAS ANDRIANTO Dimas Andrianto Djarot Sasongko Hami Seno Dwicesaria, Maheswari Alfira Erwin Harahap Febrina, Adella Fernanda Chairunisa Fitrilia, Tiana Gholam, Gusnia Meilin Gusnia Meilin Gholam Heri Saptadi Ismanto Hudayanti, Martini Husnawati Husnawati I MADE ARTIKA Inda Setyawati, Inda LAKSMI AMBARSARI M.A. Primaningrum Dian, M.A. Primaningrum Maria Bintang MARIA BINTANG Mega Safithri Nur Azizah Nusyarah, Ayu Tri Pratiwi, Anggita Aziz Purwanto, Ukhradiya Magharaniq Safira Rahmadi Ganesha Putri Rahman, Syabilla Aulia Raisyadikara, Fadila Riyan Alifbi Putera Irsal Riyan Alifbi Putera Irsal Rosyidah, Rara Annisaur Sanro Tachibana Setyanto Tri Wahyudi Syamsul Falah Zatta Yumni Ihdhar Syarafina