Article Per Year (5 Year)
p-Index From 2019 - 2024
0.444
P-Index
This Author published in this journals
All Journal JURNAL KIMIA SAINS DAN APLIKASI
Himyatul Hidayah
Faculty of Pharmacy, Universitas Buana Perjuangan Karawang, Karawang, West Java|Universitas Buana Perjuangan Karawang|Indonesia
Chemical Engineering, Chemistry & Bioengineering Chemistry Engineering

Published : 2 Documents Claim Missing Document
Claim Missing Document
Check
Articles

Found 2 Documents
Search

 1 
Virtual Screening of Syzygium cumini (L.) Skeels Flavonoid Compounds as SARS-CoV-2 Main Protease Therapy Candidates Himyatul Hidayah; Ruswanto Ruswanto; Desri Lestari; Surya Amal; Neni Sri Gunarti
Jurnal Kimia Sains dan Aplikasi Vol 27, No 7 (2024): Volume 27 Issue 7 Year 2024
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.27.7.336-343

Abstract

In December 2019, the first COVID-19 cases were in Wuhan, China. This case is a global concern and a threat to public health. Based on previous research using molecular docking methods, it was found that flavonoids exhibit strong inhibitory activity in SARS-CoV-2 main proteases. The study aims to determine the flavonoid compound Syzygium cumini (L.) Skeels can interact with the SARS-CoV-2 main protease receptor and can be used as a candidate for COVID-19 therapy with virtual screening. Myricetin 4”-O-acetyl-2-O-gallate has the lowest Gibbs free energy (ΔG) of -9.82 kcal/mol. The molecular dynamics of the best compound, Myrcetin 4-O-acetyl-2-O-gallate, RMSD, and RSMF values are quite stable. As a result of pharmacokinetic prediction and toxicity, the best compounds have a relatively good pharmacokinetic profile and are non-toxic. Thus, it can be concluded that the compound Myricetin 4”-O-acetyl-2-o-gallate in the Syzygium cumini (L.) Skeels is predicted to interact with the SARS-CoV-2 main protease receptor (7C6S) as a potential drug candidate for COVID-19 therapy.
Bioinformatics Studies of Flavonoid Derivatives Compound from Saga Rambat Leaves as an Antipyretic Candidate Neni Sri Gunarti; Ruswanto Ruswanto; Elsa Oktavia Angelica; Himyatul Hidayah
Jurnal Kimia Sains dan Aplikasi Vol 26, No 12 (2023): Volume 26 Issue 12 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.26.12.466-476

Abstract

This research is backed by the frequent use of herbal plants in the community, one of which is the saga (Abrus precatory L.), which is used to reduce body temperature in the Tirtajaya District, Karawang Regency. Saga leaves contain several secondary metabolites with potential antipyretics, one of which is flavonoids. The study aimed to determine the inhibitory activity of flavonoid compounds of saga leaves as inhibitors of COX-2 receptors and IL-1 receptors that reduce fever. The methods used were pharmacokinetic and toxicity studies, molecular docking, and molecular dynamic simulation. The outcomes of molecular docking experiments with seven flavonoid-derived compounds from saga leaves targeting cyclooxygenase-2 (4PH9) receptors revealed that isohemiphloin compounds exhibited the most favorable Gibbs free energy (ΔG) at -7.08 kcal/mol. In the case of interleukin-1 (5R85), cirsimaritin compounds displayed the lowest Gibbs free energy (ΔG) at -7.78 kcal/mol. The analysis of drug screening results indicates that the best compound adheres to four of the five Lipinski rules. Furthermore, the predictions for pharmacokinetics and toxicity are fairly good, as the best compound demonstrates a favorable pharmacokinetic profile and is determined to be non-toxic. These findings collectively suggest that the isohemiphloin compound from saga leaves may be a promising candidate for developing an antipyretic drug, particularly due to its predicted interaction with the cyclooxygenase-2 (4PH9) receptor.
Co-Authors Desri Lestari Elsa Oktavia Angelica Neni Sri Gunarti Ruswanto Ruswanto Ruswanto, Ruswanto Surya Amal