Evaluation of the antimicrobial-cytotoxic activities and molecular docking study of L-cysteine ethyl ester and L-cysteine methyl ester
Year: 2025
Type: article
Abstract: Antibiotic resistance is a growing problem in the treatment of life-threatening diseases. Recently, a variety of covalent drugs have emerged. Cysteine is one of the least abundant amino acids in the proteins of many organisms, and the thiol group in its structure makes it unique and has become a common covalent amino acid residue in covalent drug development. Therefore, it is important to conduct research on cysteine derivatives. In this study, the in vitro antibacterial activity of L-cysteine esters were tested against Gram-positive Staphylococcus aureus and Gram-negative Escherichia coli using the modified microdilution broth method. In vitro cytotoxic activities of the esters were carried out against the healthy HEK293T cell line and well-differentiated liver cancer cell lines PLC/PRF/5 and HEP3B at different concentrations by using an MTS assay. In addition, molecular docking studies, ADMET properties, and drug-likeness were also reported. The results obtained are new and it is thought that these results of the study will contribute to the development of new synthesizable cysteine-based drugs. In conclusion, a thorough examination of the frontier orbital (HOMO and LUMO) and MEP studies was conducted using quantum chemistry techniques to determine the molecule's reactivity, electrophilic and nucleophilic sites.
Source: Amino Acids
Language: English
Subfield: Organic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $3,590
OpenAlex ID: W4416561980