1.
J Chem Inf Comput Sci
; 42(4): 962-7, 2002.
Article
in English
| MEDLINE
| ID: mdl-12132898
ABSTRACT
A definition of a pharmacophore for the 5-HT4 antagonist was carried out by considering a three-dimensional model which correlates the chemical structures of series of antagonists with their biological affinities. A molecular design is described by analyzing the differences between two 3D serotonin pharmacophores. This successful structural modification demonstrates the efficiency of this approach to design new serotonin ligands.
Subject(s)
Computer Simulation , Drug Design , Receptors, Serotonin/drug effects , Computer-Aided Design , Ligands , Models, Chemical , Quantitative Structure-Activity Relationship , Receptors, Serotonin, 5-HT4 , Serotonin Antagonists/chemistry , Serotonin Antagonists/pharmacology , Serotonin Receptor Agonists/chemistry , Serotonin Receptor Agonists/pharmacology , Software
2.
J Enzyme Inhib Med Chem
; 17(6): 439-42, 2002 Dec.
Article
in English
| MEDLINE
| ID: mdl-12683681
ABSTRACT
Application of the bivalent approach to the cyclopenta[c]thiophene series led to a potent cytotoxic dimer.
