<abstract xmlns="http://www.w3.org/1999/xhtml">

<p>Reactive carbonyl species such as methylglyoxal (MGO) act as potent glycating agents that are implicated in several oxidative stress-induced diseases, including, but not limited to, cancer, diabetes and neurodegenerative diseases such as Alzheimer’s and Parkinson’s diseases. In the present study, a combined approach of initial computational studies and <italic>in vitro</italic> analysis was utilized to investigate the therapeutic benefit of L-cysteine (CYS), a thiol-containing compound. Based on the reactive analysis using global and local density functional theory (DFT) descriptors, the data reported here has revealed that CYS matches its electron-donating capacity with the electron acceptor, methylglyoxal, making the former a good candidate sequestering agent for the latter. Furthermore, <italic>in vitro</italic> analysis shows that CYS exhibits significant inhibitory effects towards damaging protein structural alteration and formation of advanced glycation end products (AGEs). Such assessment came about through Congo red binding Assay and Antiglycation Assay using BSA-MGO and BSA-glucose model systems. Additionally, CYS also demonstrates a significant protective effect towards MGO-induced oxidative stress in mouse C2C12 myotubes. Therefore, this thiol-containing compound is a promising therapeutic tool for several glycation or AGEs-induced pathological conditions. The use of more relevant cellular and animal models of desired disease studies is recommended to better understand the mechanistic basis of CYS’s potential therapeutic effect. This study utilizing the combined approach of computational and in-vitro analysis, provides helpful data to maximize the potential impact of CYS by designing related molecules that could serve as novel treatment strategies that are effective, safe, and accessible to all in the future.</p>
</abstract>

Reactive carbonyl species such as methylglyoxal (MGO) act as potent glycating agents that are implicated in several oxidative stress-induced diseases, including, but not limited to, cancer, diabetes and neurodegenerative diseases such as Alzheimer’s and Parkinson’s diseases. In the present study, a combined approach of initial computational studies and in vitro analysis was utilized to investigate the therapeutic benefit of L-cysteine (CYS), a thiol-containing compound. Based on the reactive analysis using global and local density functional theory (DFT) descriptors, the data reported here has revealed that CYS matches its electron-donating capacity with the electron acceptor, methylglyoxal, making the former a good candidate sequestering agent for the latter. Furthermore, in vitro analysis shows that CYS exhibits significant inhibitory effects towards damaging protein structural alteration and formation of advanced glycation end products (AGEs). Such assessment came about through Congo red binding Assay and Antiglycation Assay using BSA-MGO and BSA-glucose model systems. Additionally, CYS also demonstrates a significant protective effect towards MGO-induced oxidative stress in mouse C2C12 myotubes. Therefore, this thiol-containing compound is a promising therapeutic tool for several glycation or AGEs-induced pathological conditions. The use of more relevant cellular and animal models of desired disease studies is recommended to better understand the mechanistic basis of CYS’s potential therapeutic effect. This study utilizing the combined approach of computational and in-vitro analysis, provides helpful data to maximize the potential impact of CYS by designing related molecules that could serve as novel treatment strategies that are effective, safe, and accessible to all in the future.

L-cysteine sequestering methyl glyoxal prevents protein glycation: a combined <italic>in vitro</italic> and <italic>in silico</italic> evaluation

Mindanao State University-Iligan Institute of Technology

Current Issues in Pharmacy and Medical Sciences

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

L-cysteine sequestering methyl glyoxal prevents protein glycation: a combined  and  evaluation

Reactive carbonyl species such as methylglyoxal (MGO) act as potent glycating agents that are implicated in several oxidative stress-induced diseases,...

L-cysteine sequestering methyl glyoxal prevents protein glycation: a combined in vitro and in silico evaluation

Online veröffentlicht: 10. Juli 2024

Seitenbereich: 114 - 120

Eingereicht: 21. Feb. 2024

Akzeptiert: 24. Apr. 2024

DOI: https://doi.org/10.2478/cipms-2024-0019

Schlüsselwörter
methylglyoxal, oxidative stress, AGEs, L-cysteine, conceptual DFT

© 2024 Misshell L. Lavilla et al., published by Sciendo

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

L-cysteine sequestering methyl glyoxal prevents protein glycation: a combined in vitro and in silico evaluation

Online veröffentlicht: 10. Juli 2024

Seitenbereich: 114 - 120

Eingereicht: 21. Feb. 2024

Akzeptiert: 24. Apr. 2024

DOI: https://doi.org/10.2478/cipms-2024-0019

Schlüsselwörtermethylglyoxal, oxidative stress, AGEs, L-cysteine, conceptual DFT

© 2024 Misshell L. Lavilla et al., published by Sciendo

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Schlüsselwörter
methylglyoxal, oxidative stress, AGEs, L-cysteine, conceptual DFT