title: [Fragment-based drug design using stereoisomers. A case study of analogues of the phenol group in the Bioster database].
abstract: This case study examined various structural features of the 55 bioisosteric fragments of the phenol group registered in version 2002.1 of the Bioster database. The size, calculated lipophilicity and H-bond donor or acceptor character of the fragments were found to vary on a fairly wide scale. In most cases, molecular modelling calculations indicated similarities in the electrostatic potential maps of the fragments.
authors.affiliation: MTA Kémiai Kutatóközpont Kémiai Intézet, Budapest.
authors.forename: István
authors.initials: I
authors.lastname: Ujváry
authors.forename: Werner
authors.initials: W
authors.lastname: Györffy
authors.forename: Antal
authors.initials: A
authors.lastname: Lopata
mesh_terms: D016208:Databases, Factual; D015195:Drug Design; D010636:Phenols / Q000737:chemistry*; D013237:Stereoisomerism
chemical_list: D010636:Phenols