title: Structure-activity relationship study of CXCR4 antagonists bearing the cyclic pentapeptide scaffold: identification of the new pharmacophore.
abstract: A highly potent CXCR4 antagonist 2 [cyclo (-D-Tyr1-Arg2-Arg3-Nal4-Gly5-)] has previously been identified by screening cyclic pentapeptide libraries that were designed based on pharmacophore residues of a 14-residue peptidic CXCR4 antagonist 1. In the present study, D-Tyr and Arg in peptide 2 were replaced by a bicyclic aromatic amino acid and a cationic amino acid, respectively, and their binding activity for CXCR4 was evaluated for identification of the novel pharmacophore.
authors.affiliation: Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University, Chiyoda-ku, Tokyo, 101-0062, Japan.
authors.forename: Tomohiro
authors.initials: T
authors.lastname: Tanaka
authors.forename: Hiroshi
authors.initials: H
authors.lastname: Tsutsumi
authors.forename: Wataru
authors.initials: W
authors.lastname: Nomura
authors.forename: Yasuaki
authors.initials: Y
authors.lastname: Tanabe
authors.forename: Nami
authors.initials: N
authors.lastname: Ohashi
authors.forename: Ai
authors.initials: A
authors.lastname: Esaka
authors.forename: Chihiro
authors.initials: C
authors.lastname: Ochiai
authors.forename: Jun
authors.initials: J
authors.lastname: Sato
authors.forename: Kyoko
authors.initials: K
authors.lastname: Itotani
authors.forename: Tsutomu
authors.initials: T
authors.lastname: Murakami
authors.forename: Kenji
authors.initials: K
authors.lastname: Ohba
authors.forename: Naoki
authors.initials: N
authors.lastname: Yamamoto
authors.forename: Nobutaka
authors.initials: N
authors.lastname: Fujii
authors.forename: Hirokazu
authors.initials: H
authors.lastname: Tamamura
mesh_terms: D000818:Animals; D002417:Cattle; D002460:Cell Line; D055808:Drug Discovery; D015497:HIV-1 / Q000187:drug effects; D006801:Humans; D009842:Oligopeptides / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology* / Q000633:toxicity; D010456:Peptides, Cyclic / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology* / Q000633:toxicity; D019718:Receptors, CXCR4 / Q000037:antagonists & inhibitors*; D013329:Structure-Activity Relationship; D014443:Tyrosine / Q000737:chemistry
chemical_list: D009842:Oligopeptides; D010456:Peptides, Cyclic; D019718:Receptors, CXCR4; D014443:Tyrosine