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All Journal Indonesian Journal of Chemistry
Triatmaja, Karisma
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Chemical Engineering, Chemistry & Bioengineering Chemistry

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Development of Graphene Oxide-Based Antibacterial Agents via ZnO/Eugenol Modification: Experimental and Computational Analysis Triatmaja, Karisma; Kunarti, Eko Sri; Suyanta, Suyanta; Widiakongko, Priyagung Dhemi
Indonesian Journal of Chemistry Vol 25, No 2 (2025)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.97866

Abstract

The development of new antibacterial agents is proposed to solve the problem of drug-resistant bacterial strains caused by antibiotic misuse. The aim of this study was to improve the antibacterial activity by modifying graphene oxide (GO) using ZnO/eugenol and analyzing the interaction computationally. The study was started with GO synthesis using the modified Hummer method, followed by the dispersion of ZnO/eugenol through the mechanochemical method to GO to form GO/ZnO/eugenol composite. The composite was characterized using XRD, FTIR, UV-vis, SEM, and TEM. Results showed that the sonochemical method successfully prepared the GO/ZnO/eugenol composite. This material has better antibacterial E. coli activity than GO, with an inhibition zone of 11.5 mm in diameter, while pure GO showed no inhibition zone. MIC test presented that GO/ZnO/eugenol composite with 25 mg/mL suspension effectively prevented bacterial colony growth, while GO could only inhibit with 50 mg/mL suspension. Additionally, computational analysis through molecular docking suggested that the GO/ZnO/eugenol mechanism of action involves interference with DNA replication by hydrogenously interacting with the active site of DNA gyrase of E. coli bacteria. These findings highlight the potential of GO/ZnO/eugenol as a promising antibacterial agent for combating drug-resistant bacterial strains.
Molecular Docking Study of Eugenol and Its Derivatives as Potential Anti-Ischemia Agents for Angiotensin Converting Enzyme (ACE) Inhibition Prabawati, Susy Yunita; Triatmaja, Karisma; Widiakongko, Priyagung Dhemi
Indonesian Journal of Chemistry Vol 25, No 3 (2025)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.101791

Abstract

Mortality due to ischemic stroke has increased significantly, especially during the COVID-19 pandemic. Preventive measures are urgently needed to reduce the severity of ischemic stroke, which is mainly caused by blood vessel blockage due to increased secretion of angiotensin II (ANG II) by angiotensin-converting enzyme (ACE). This study investigated the potential of eugenol and its derivatives as ACE inhibitors using molecular docking, an in silico approach for drug discovery by using PLANTS software. The results showed that several eugenol derivatives, including (E)-1-(2-(4-allylphenoxy)acetyl)-4-cinnamoylthiosemicarbazide, exhibited potent ACE inhibition, with docking scores comparable to the native ligand (lisinopril) and superior to several commercial drugs. Physicochemical evaluation revealed that derivatives such as 5a, 5b, 7, and 9a had favorable molecular weight, total polar surface area, and lipophilicity (log P), thereby enhancing their permeability and bioavailability. Drug-likeness analysis confirmed that the compound meets several criteria, including Lipinski, Pfizer, and Golden Triangle rules, highlighting its potential safety and efficacy. Key binding interactions, including hydrogen bonds, hydrophobic interactions, and electrostatic interactions in the ACE active site, further support its candidacy as an ACE inhibitor. These findings suggest that eugenol derivatives are promising candidates for the development of therapies targeting ischemic stroke through ACE inhibition.
Co-Authors Eko Sri Kunarti Susy Yunita Prabawati Suyanta Suyanta Widiakongko, Priyagung Dhemi