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Identification of Potential Compounds of Green Tea (Camellia sinensis) in Inhibiting SARS-CoV-2: a Multi-Target Approach Based on Molecular Docking Farhan Fauzan; Meilisa Dwi Puteri; Tria Putriani; Yudhistia Putri Alwahida; Siti Nurhaliza Hasibuan; Naura Nurnahari; Winni Nur Auli
JRST (Jurnal Riset Sains dan Teknologi) Volume 10 No. 2, September 2026 :JRST
Publisher : Universitas Muhammadiyah Purwokerto

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30595/jrst.v10i2.27965

Abstract

SARS-CoV-2 is a new betacoronavirus that has a complex replication pathway through the Mpro, TMPRSS2, and RdRp proteins. This study aims to analyze the potential and molecular mechanisms of catechin-derived compounds from green tea (Camellia sinensis), using a multi-target approach based on molecular docking. Predictions of physicochemical properties and toxicity were analyzed using SwissADME, pkCSM, and Toxtree v3.1.0.1851. Protein and ligand structure preparation used PDB, MolView, and Avogadro. Then, molecular docking was analyzed using AutoDock4 1.5.6 and BIOVIA Discovery Studio. The analysis results showed that the EGCG compound had the best affinity with Mpro (-7.6 kcal/mol) at the cyad catalytic site (His 41 and Cys 145), the CG compound with TMPRSS2 (-7.95 kcal/mol) at the triad catalytic site (His 26 and Ser 441), and the ECG compound with RdRp (-7.51 kcal/mol) at the replication catalytic site (Lys 73 and Phe 219). These results indicate that the catechin compound from green tea has the potential to inhibit SARS-CoV-2 replication in a multi-target manner through the mechanism of inhibition of the catalytic and replication sites, thereby overcoming the complexity of virus replication and avoiding resistance
A Review of Methodological Standards and Current Practices in Hemolytic Toxicity Testing of Nanoparticle-Based Drug Delivery Systems Mubarika Sekarsari Yusuf; Naura Nurnahari
Pharmacon: Jurnal Farmasi Indonesia Vol. 22 No. 2 (2025)
Publisher : Universitas Muhammadiyah Surakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.23917/pharmacon.v22i2.13229

Abstract

Hemolytic toxicity testing is a fundamental component of hemocompatibility assessment for nanoparticle-based drug delivery systems (N-DDSs), as erythrocyte integrity reflects blood safety prior to clinical application. Despite its critical role, experimental procedures vary across the literature. Essential methodological details are frequently omitted, hindering reproducibility and standardization. This variability urges the need for a consolidated reference that examines both current practices and established guidelines. This narrative review aims to provide a structured overview of hemolytic toxicity testing methodologies applied to N-DDSs, with particular emphasis on procedural parameters and their alignment with ASTM and ISO standards. Literature was identified through Google search and open access Scopus-Indexed journals primarily covering publications from 2025 and supplemented with earlier studies to provide historical context. Articles were selected based on relevance to seven methodological parameters which were erythrocyte source, methods of erythrocyte separation and purification, incubation conditions, positive and negative controls, measurement method. Analysis of 30 publications revealed human erythrocytes were the predominant model, with phosphate buffered saline and detergent-like substances were most commonly used negative and positive controls, respectively. Centrifugation controls were inconsistently reported, while incubation was typically run at 37oC, with varying durations depending on the nanoparticle system. Variability was also observed in approaches used to quantify free hemoglobin. Overall, while hemolytic toxicity studies continue to rely on ASTM and ISO guidelines, greater methodological details and standardization would enhance the reliability and reproducibility of hemocompatibility assessments in nanoparticle drug delivery research.