作者
Luz América Chi-Uluac, Somayeh Asgharpour, Rodolfo Guadalupe Blanco-Rodríguez, Marlet Martínez-Archundia
发表日期
2023/8/17
期刊
Journal of Chemical Information and Modeling
卷号
63
期号
16
页码范围
5331-5340
出版商
American Chemical Society
简介
Angiotensin-(1-7) is an endogenous peptide known for its vasoprotective, antioxidant, and anti-inflammatory effects, making it a promising therapeutic candidate for various clinical conditions. However, the peptide exhibits pH-dependent physical instability in aqueous solutions, and a comprehensive atomistic study elucidating this behavior and its implications is currently lacking. Therefore, we performed all-atom molecular dynamics simulations to investigate the early formation of angiotensin-(1-7) oligomeric aggregates under different conditions: acidic and neutral pH-like conditions, physiological and high ionic strength, and high and low peptide concentrations. Our results are as follows: (1) under acidic pH-like conditions, angiotensin-(1-7) showed minimal clustering, (2) under neutral pH-like conditions, the peptides aggregated into a single cluster, consistent with the reported physical instability, and (3 …
学术搜索中的文章
LA Chi-Uluac, S Asgharpour, RG Blanco-Rodríguez… - Journal of Chemical Information and Modeling, 2023