By Thierry Langer, Rémy D. Hoffmann
This instruction manual is the 1st to handle the sensible features of this novel process. It offers an entire assessment of the sphere and progresses from normal concerns to genuine lifestyles eventualities in drug discovery learn.
beginning with an introductory historic evaluate, the authors stream directly to speak about ligand-based ways, together with 3D pharmacophores and 4D QSAR, in addition to the concept that and alertness of pseudoreceptors. the subsequent part on structure-based methods contains pharmcophores from ligand-protein complexes, turn and 3D protein-ligand binding interactions. the complete is rounded off with an entire part dedicated to purposes and examples, together with modeling of ADME houses.
With its severe evaluate of pharmacophore-based techniques, this booklet represents a important reduction for undertaking leaders and decision-makers within the pharmaceutical undefined, in addition to pharmacologists, and medicinal and chemists.
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Additional info for Pharmacophores and Pharmacophore Searches
Veber, D. , Anderson, P. , Chang, R. , Lotti, V. , Cerno, D. , Chen, T. , Kling, P. , Kunkel, K. , Springer, J. , Methods for drug discovery: development of potent, selective, orally effective cholecystokinin antagonists. J. Med. Chem. 1988, 31, 2235–2246. , Privileged structures – an update. Rep. Med. Chem. 2000, 35, 289–298. 4 Sheridan, R. , Miller, M. , A method for visualizing recurrent topological substructures in sets of active molecules. J. Chem. Inf. Comput. Sci. 1998, 38, 915–924. 11 12 1 Pharmacophores: Historical Perspective and Viewpoint from a Medicinal Chemist 5 Thompson, L.
Sippl, W. ). Prous Science, Barcelona, 2001, pp. 3–20. , “Scaffold-hopping” by topological pharmacophore search: a contribution to virtual screening. Angew. Chem. Int. Ed. 1999, 38, 2894–2896. , Vercauteren, D. , André, J. , Wermuth, C. , Structure and molec- 36 37 38 39 ular modeling of GABAA antagonists. J. Med. Chem. 1992, 35, 1969–1977. Ariëns, E. , Rodrigues de Miranda, J. , Simonis, A. , The pharmacon-receptor–effector concept: a basis for understanding the transmission of information in biological systems.
1982, 3, 362–365. Anden, N. , Evidence for a central noradrenaline receptor stimulation by clonidine. Life Sci. 1970, 9, 513–523. Barlow, R. , Introduction to Chemical Pharmacology, 2nd edn. Methuen, London, 1964. , An analysis of drug-receptor interactions. In Modern Concepts in the Relationship Between Structure and Pharmacological Activity, Brunings, K. J. ). Pergamon Press, Oxford, 1963, pp. 75–99. , Coubeils, J. , Gervois, J. , Quantum mechanical study of the conformational properties of phenethylamines of biochemical and medicinal interest.