title: Conformational analysis of tripeptide Ac-Lys-Pro-Val-NH2, COOH-terminal sequence of alpha-MSH.
abstract: Alpha-melanocyte stimulating hormone (alpha-MSH) is an endogenous linear tridecapeptide which interacts with the melanocortin receptors (MC1-R to MC5-R) to mediate its biological effects. Antipyretic and anti-inflammatory activities of alpha-MSH are due to the COOH-terminal peptide sequence, Lys-Pro-Val (alpha-MSH[11-13]). This tripeptide might be useful as a therapeutic agent in the control of fever and inflammatory reactions. With this aim, a theoretical conformational study of the tripeptide has been carried out using molecular dynamics. The obtained conformational space has been classified into families according to the letter-code convention to partition the phi-psi map. The lowest energy conformations of each family were used as templates to design six models of conformationally constrained nonpeptide analogues.
authors.affiliation: Institut de Chimie Pharmaceutique Albert Lespagnol, Lille, France.
authors.forename: P
authors.initials: P
authors.lastname: Chavatte
authors.forename: S
authors.initials: S
authors.lastname: Yous
authors.forename: D
authors.initials: D
authors.lastname: Lesieur
authors.forename: J P
authors.initials: JP
authors.lastname: Hénichart
mesh_terms: D003198:Computer Simulation; D009074:Melanocyte-Stimulating Hormones / Q000737:chemistry*; D008958:Models, Molecular; D010446:Peptide Fragments / Q000737:chemistry*; D011487:Protein Conformation; D012984:Software
chemical_list: D010446:Peptide Fragments; C067236:N-acetyllysyl-prolyl-valinamide; D009074:Melanocyte-Stimulating Hormones