title: Pharmacophore-based small molecule CXCR4 ligands.
abstract: Low molecular weight CXCR4 ligands were developed based on the peptide T140, which has previously been identified as a potent CXCR4 antagonist. Some compounds with naphthyl, fluorobenzyl and pyridyl moieties as pharmacophore groups in the molecule showed significant CXCR4-binding activity and anti-HIV activity. Structure-activity relationships were studied and characteristics of each of these three moieties necessary for CXCR4 binding were defined. In this way, CXCR4 ligands with two types of recognition modes for CXCR4 have been found.
authors.affiliation: Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University, Tokyo 101-0062, Japan.
authors.forename: Tetsuo
authors.initials: T
authors.lastname: Narumi
authors.forename: Tomohiro
authors.initials: T
authors.lastname: Tanaka
authors.forename: Chie
authors.initials: C
authors.lastname: Hashimoto
authors.forename: Wataru
authors.initials: W
authors.lastname: Nomura
authors.forename: Haruo
authors.initials: H
authors.lastname: Aikawa
authors.forename: Akira
authors.initials: A
authors.lastname: Sohma
authors.forename: Kyoko
authors.initials: K
authors.lastname: Itotani
authors.forename: Miyako
authors.initials: M
authors.lastname: Kawamata
authors.forename: Tsutomu
authors.initials: T
authors.lastname: Murakami
authors.forename: Naoki
authors.initials: N
authors.lastname: Yamamoto
authors.forename: Hirokazu
authors.initials: H
authors.lastname: Tamamura
mesh_terms: D019380:Anti-HIV Agents / Q000138:chemical synthesis* / Q000494:pharmacology; D002460:Cell Line; D015497:HIV-1 / Q000187:drug effects / Q000502:physiology; D006801:Humans; D008024:Ligands; D009842:Oligopeptides / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D019718:Receptors, CXCR4 / Q000037:antagonists & inhibitors* / Q000737:chemistry; D054852:Small Molecule Libraries; D013329:Structure-Activity Relationship; D013601:T-Lymphocytes / Q000187:drug effects / Q000821:virology; D014779:Virus Replication / Q000187:drug effects
chemical_list: D019380:Anti-HIV Agents; D008024:Ligands; D009842:Oligopeptides; D019718:Receptors, CXCR4; D054852:Small Molecule Libraries; C116977:T140 peptide