ArticleRSC medicinal chemistry2026
Systematic screening and characterization of novel γ-glutamyl tripeptides binding to the CaSR Venus flytrap domain.
Article in RSC medicinal chemistry, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
The calcium-sensing receptor (CaSR) plays an important role in calcium homeostasis and multiple physiological regulatory processes, and its Venus flytrap (VFT) domain is a key region for γ-glutamyl peptide binding. In this study, molecular docking, surface plasmon resonance (SPR), and molecular dynamics simulations were integrated to systematically investigate the binding behavior of 400 γ-glutamyl tripeptides with CaSR-VFT. The results showed that all 400 γ-glutamyl tripeptides could be accommodated in the central binding pocket of CaSR-VFT, with binding energies mainly ranging from -6 to -10 kcal mol
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