Fitxers
Tipus de document
ArticleVersió
Versió publicadaData de publicació
Llicència de publicació
Si us plau utilitzeu sempre aquest identificador per citar o enllaçar aquest document: https://hdl.handle.net/2445/231920
Novel octapeptide containing the RGD sequence as a potential anti-SARS-CoV-2 agent: design, synthesis, and theoretical studies
Títol de la revista
Director/Tutor
Contribució addicional
ISSN de la revista
Títol del volum
Resum
The design of peptide-based inhibitors targeting cell receptors represents a promising strategy in the development of antiviral agents. In this study, a novel octapeptide containing the RGD sequence was rationally designed to explore its potential interaction with integrins. The peptide was functionalized with a malonic moiety to enhance its binding capabilities and potential bioactivity. Conformational and physicochemical properties were evaluated using DFT-PBEh-3ccalculations. Molecular docking studies revealed favorable interactions with the integrin α5β1, including coordination with the Mg²⁺ ion at the active site. The peptide was successfully synthesized via Fmoc-based solid-phase peptide synthesis (SPPS) and fully characterized by NMR, IR, MS, and RP-HPLC.
Recurs relacionat
Matèries (anglès)
Citació
Citació
LEMOS, Reiner, et al. Novel octapeptide containing the RGD sequence as a potential anti-SARS-CoV-2 agent: design, synthesis, and theoretical studies. Amino Acids. 2025. Vol. 57, num. 1. ISSN 0939-4451. [consulted: 10 of October of 2026]. Available at: https://hdl.handle.net/2445/231920