Pharmacophore Modeling and Three Dimensional Database Searching for Drug Design Using Catalyst: Recent Advances

• Published in: Current medicinal chemistry Vol. 11; no. 22; pp. 2991 - 3005
• Main Authors: GÜNER, Osman, CLEMENT, Omoshile, KUROGI, Yasuhisa
• Format: Journal Article
• Language: English
• Published: Schiphol Bentham Science Publishers Ltd 01.11.2004; Bentham Science
• Subjects: Animals; Beneficial use; Biological and medical sciences; Catalysis; Combinatorial Chemistry Techniques; Database searching; Databases, Factual; Design; Drug Design; Enzyme Inhibitors - chemistry; Enzyme Inhibitors - pharmacology; Humans; Medical sciences; Miscellaneous; Models, Molecular; Pharmacology. Drug treatments; Serotonin Uptake Inhibitors - chemistry; Serotonin Uptake Inhibitors - pharmacology; Structure-Activity Relationship; Picornaviridae; Sendai virus; Cyclooxygenase 2; Steroid 17α-monooxygenase; Esterases; 5-HT7 serotonin receptor; Review; Acetylcholinesterase; Reuptake inhibitor; Paramyxoviridae; Integrin; Chemical compound library; Molecular model; Database; Antiviral; Antagonist; Non steroid compound; Protein-tyrosine kinase; 3-Oxo-5α-steroid 4-dehydrogenase; Rhinovirus; Biological receptor; Drug; Acyltransferases; Serotonin; Enzyme; Mesangial cell; Transferases; Enzyme inhibitor; Proliferation; Biological activity; Amine oxidase (flavin-containing); Carboxylic ester hydrolases; Virus; Paramyxovirinae; Mononegavirales; Three dimensional model; α-Adrenergic receptor; 5-HT3 Serotonine receptor; Hydrolases; Oxidoreductases; Paramyxovirus; Conformation
• ISSN: 0929-8673; 1875-533X
• DOI: 10.2174/0929867043364036

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 Güner, O. F. "Pharmacophore Modeling and Three-Dimensional Database Searching for Drug Design Using Catalyst," in Current Medicinal Chemistry, 2001, 8(9), 1035-1055.