title: Pharmacophore modeling and three dimensional database searching for drug design using catalyst: recent advances.
abstract: Perceiving a pharmacophore is the first essential step towards understanding the interaction between a receptor and a ligand. Once a pharmacophore is established, a beneficial use of it is 3D database searching to retrieve novel compounds that would match the pharmacophore. As the 3D searching technology has evolved over the years, it has been effectively used for lead optimization, combinatorial library focusing, as well as virtual high-throughput screening. This paper is an update to the original paper published in this journal earlier: Kurogi, Y, and Guner, O. F. "Pharmacophore Modeling and Three-Dimensional Database Searching for Drug Design Using Catalyst," in Current Medicinal Chemistry, 2001, 8(9), 1035-1055.
authors.affiliation: Accelrys, 9685 Scranton Road, San Diego, CA 92121, USA. osman@accelrys.com
authors.forename: Osman
authors.initials: O
authors.lastname: Güner
authors.forename: Omoshile
authors.initials: O
authors.lastname: Clement
authors.forename: Yasuhisa
authors.initials: Y
authors.lastname: Kurogi
mesh_terms: D000818:Animals; D002384:Catalysis; D020650:Combinatorial Chemistry Techniques; D016208:Databases, Factual; D015195:Drug Design; D004791:Enzyme Inhibitors / Q000737:chemistry / Q000494:pharmacology; D006801:Humans; D008958:Models, Molecular; D017367:Selective Serotonin Reuptake Inhibitors / Q000737:chemistry / Q000494:pharmacology; D013329:Structure-Activity Relationship
chemical_list: D004791:Enzyme Inhibitors; D017367:Selective Serotonin Reuptake Inhibitors