[Fragment-based drug design using stereoisomers. A case study of analogues of the phenol group in the Bioster database].
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.
Ujváry
István
I
MTA Kémiai Kutatóközpont Kémiai Intézet, Budapest.
Györffy
Werner
W
Lopata
Antal
A
D016208:Databases, Factual; D015195:Drug Design; D010636:Phenols / Q000737:chemistry*; D013237:Stereoisomerism
D010636:Phenols