Biomaterial Database

Synthesis and pharmacological characterization of constrained analogues of Vestipitant as in vitro potent and orally active NK(1) receptor antagonists. 2010

Fabio M Sabbatini, and Romano Di Fabio, and Cristiana Griffante, and Giorgio Pentassuglia, and Laura Zonzini, and Sergio Melotto, and Giuseppe Alvaro, and Anna M Capelli, and Lara Pippo, and Elisabetta Perdona', and Yves St Denis, and Silvano Costa, and Mauro Corsi

Neurosciences Centre of Excellence for Drug Discovery and Molecular Discovery Research, GlaxoSmithKline Medicines Research Centre, Via A. Fleming 4, 37135 Verona, Italy. Fabio.M.Sabbatini@GSK.com

A focused exploration targeting conformationally restricted analogues of Vestipitant, resulted in the discovery of novel, in vitro potent NK(1) antagonists. In particular, two of the compounds reported exhibited a good pharmacokinetic (PK) profile and produced anxiolytic-like effects in the gerbil foot tapping (GFT) in vivo model.

UI	MeSH Term	Description	Entries
D008968	Molecular Conformation	The characteristic three-dimensional shape of a molecule.	Molecular Configuration,3D Molecular Structure,Configuration, Molecular,Molecular Structure, Three Dimensional,Three Dimensional Molecular Structure,3D Molecular Structures,Configurations, Molecular,Conformation, Molecular,Conformations, Molecular,Molecular Configurations,Molecular Conformations,Molecular Structure, 3D,Molecular Structures, 3D,Structure, 3D Molecular,Structures, 3D Molecular
D010880	Piperidines	A family of hexahydropyridines.
D005464	Fluorobenzenes	Derivatives of BENZENE that contain FLUORINE.	Fluorobenzene
D006801	Humans	Members of the species Homo sapiens.	Homo sapiens,Man (Taxonomy),Human,Man, Modern,Modern Man
D014151	Anti-Anxiety Agents	Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here.	Anti-Anxiety Agent,Anti-Anxiety Drug,Anxiolytic,Anxiolytic Agent,Anxiolytic Agents,Tranquilizing Agents, Minor,Anti-Anxiety Drugs,Anti-Anxiety Effect,Anti-Anxiety Effects,Antianxiety Effect,Antianxiety Effects,Anxiolytic Effect,Anxiolytic Effects,Anxiolytics,Tranquillizing Agents, Minor,Agent, Anti-Anxiety,Agent, Anxiolytic,Agents, Anti-Anxiety,Agents, Anxiolytic,Agents, Minor Tranquilizing,Agents, Minor Tranquillizing,Anti Anxiety Agent,Anti Anxiety Agents,Anti Anxiety Drug,Anti Anxiety Drugs,Anti Anxiety Effect,Anti Anxiety Effects,Drug, Anti-Anxiety,Drugs, Anti-Anxiety,Effect, Anti-Anxiety,Effect, Antianxiety,Effect, Anxiolytic,Effects, Anti-Anxiety,Effects, Antianxiety,Effects, Anxiolytic,Minor Tranquilizing Agents,Minor Tranquillizing Agents
D015195	Drug Design	The molecular designing of drugs for specific purposes (such as DNA-binding, enzyme inhibition, anti-cancer efficacy, etc.) based on knowledge of molecular properties such as activity of functional groups, molecular geometry, and electronic structure, and also on information cataloged on analogous molecules. Drug design is generally computer-assisted molecular modeling and does not include PHARMACOKINETICS, dosage analysis, or drug administration analysis.	Computer-Aided Drug Design,Computerized Drug Design,Drug Modeling,Pharmaceutical Design,Computer Aided Drug Design,Computer-Aided Drug Designs,Computerized Drug Designs,Design, Pharmaceutical,Drug Design, Computer-Aided,Drug Design, Computerized,Drug Designs,Drug Modelings,Pharmaceutical Designs
D018040	Receptors, Neurokinin-1	A class of cell surface receptors for TACHYKININS with a preference for SUBSTANCE P. Neurokinin-1 (NK-1) receptors have been cloned and are members of the G protein coupled receptor superfamily. They are found on many cell types including central and peripheral neurons, smooth muscle cells, acinar cells, endothelial cells, fibroblasts, and immune cells.	NK-1 Receptors,Neurokinin-1 Receptors,Receptors, Substance P,SP-P Receptors,Substance P Receptors,NK-1 Receptor,Neurokinin-1 Receptor,Receptors, NK-1,Receptors, SP-P,SP-P Receptor,Substance P Receptor,Substance-P Receptor,Tachykinin Receptor 1,NK 1 Receptor,NK 1 Receptors,Neurokinin 1 Receptor,Neurokinin 1 Receptors,P Receptor, Substance,P Receptors, Substance,Receptor, NK-1,Receptor, Neurokinin-1,Receptor, SP-P,Receptor, Substance P,Receptor, Substance-P,Receptors, NK 1,Receptors, Neurokinin 1,Receptors, SP P,SP P Receptor,SP P Receptors
D064729	Neurokinin-1 Receptor Antagonists	Compounds that inhibit or block the activity of NEUROKININ-1 RECEPTORS.	Neurokinin 1 Receptor Antagonist,Neurokinin-1 Receptor Antagonist,Neurokinin-1 Receptor Blocker,Neuroleukin-1 Receptor Blocker,Substance P Receptor Antagonist,Substance P Receptor Blocker,Tachykinin Receptor 1 Antagonist,Tachykinin Receptor 1 Blocker,Neurokinin-1 Receptor Blockers,Neuroleukin-1 Receptor Blockers,Substance P Receptor Antagonists,Substance P Receptor Blockers,Tachykinin Receptor 1 Antagonists,Tachykinin Receptor 1 Blockers,Antagonist, Neurokinin-1 Receptor,Antagonists, Neurokinin-1 Receptor,Blocker, Neurokinin-1 Receptor,Blocker, Neuroleukin-1 Receptor,Blockers, Neurokinin-1 Receptor,Blockers, Neuroleukin-1 Receptor,Neurokinin 1 Receptor Antagonists,Neurokinin 1 Receptor Blocker,Neurokinin 1 Receptor Blockers,Neuroleukin 1 Receptor Blocker,Neuroleukin 1 Receptor Blockers,Receptor Antagonist, Neurokinin-1,Receptor Antagonists, Neurokinin-1,Receptor Blocker, Neurokinin-1,Receptor Blocker, Neuroleukin-1,Receptor Blockers, Neurokinin-1,Receptor Blockers, Neuroleukin-1