Structural Insights on Hyp-Gly-Containing Peptides as Antiplatelet Compounds through Topomer CoMFA and CoMSIA Analysis.

ABSTRACT: Increasing evidence has shown collagen hydrolysate involves a variety of bioactivities. In our previous study, multiple antiplatelet peptides containing Hyp/Pro-Gly were identified in collagen hydrolysates from Salmo salar and silver carp skin and exhibited anti-thrombosis activity without bleeding risks in vivo. However, the relationship between structure and activity remains unknown. We performed 3D-QSAR studies on 23 Hyp/Pro-Gly-containing peptides in which 13 peptides were reported before. CoMFA, Topomer CoMFA and CoMSIA analyses were used to generate the QSAR models. Topomer CoMFA analysis showed a q² value of 0.710, an r² value of 0.826, an r²_pred value of 0.930, and the results showed that Hyp instead of Pro was more important for improvin

SUBMITTER: Yang Y 

PROVIDER: S-EPMC9956102 | biostudies-literature | 2023 Feb

REPOSITORIES: biostudies-literature