Analyses and Comparisons of the Antimicrobial-Cytotoxic Effects and Molecular Docking Study of L-DOPA and L-DOPA Methyl Ester

Year 2025, Volume: 53 Issue: 4, 33 - 46, 01.10.2025

Tuğçe Deniz Karaca , Hüseyin Balcı , Arzu Aysan , Yusuf Sert

https://doi.org/10.15671/hjbc.1684535

Abstract

The increasing the importance of synthesizing compounds with high biocompatibility, low cytotoxicity, and advanced antibacterial properties is evident in current research. L-3,4-Dihydroxyphenylalanine (L-DOPA) is a crucial drug widely used in the treatment of Parkinson's disease. In this study, we investigated the antimicrobial and cytotoxic effects of L-DOPA and its water-soluble derivative, L-DOPA methyl ester. The antimicrobial effects of L-DOPA and L-DOPA Methyl Ester were tested on both Gram-negative and Gram-positive bacteria. Additionally, the impact of L-DOPA and its ester on cell viability was assessed using the MTT assay on cancerous and non-cancerous cell lines. The study revealed that both substances were effective against Gram-positive bacteria but not Gram-negative bacteria. Specifically, the growth of Gram-positive bacteria was inhibited by both compounds, with L-DOPA showing greater efficacy. We also observed that L-DOPA and its ester exhibit anti-cancer activity. Furthermore, the molecular docking mechanism between the three targets (2DS2, 4URO and 1M17) and the compounds was investigated using Autodock Vina. The findings show that the L-DOPA molecule is more appropriately attached to the target receptors than the L-DOPA methyl ester molecule. As a result, its inhibition is greater. The results obtained are new and it is thought that these results of the study will contribute to the development of new synthesizable drug studies.

Keywords

L-Dopa-ester , Antimicrobial activity , Cytotoxicity , Molecular Docking

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