Molecular Drug Properties
Measurement and Prediction
(Sprache: Englisch)
A unique handbook that shows the best and quickest way to estimate those molecular properties most relevant for the efficiency and pharmacokinetic performance of a drug molecule: lipophilicity, pKa, solubility, permeation and conformation.
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Produktinformationen zu „Molecular Drug Properties “
A unique handbook that shows the best and quickest way to estimate those molecular properties most relevant for the efficiency and pharmacokinetic performance of a drug molecule: lipophilicity, pKa, solubility, permeation and conformation.
Klappentext zu „Molecular Drug Properties “
This first systematic overview for more than a decade is tailor-made for the medicinal chemist. All the chapters are written by experienced drug developers and include practical examples from real drug candidates. Following an introduction to global drug properties and their impact on drug research, screening and combinatorial chemistry libraries, this handbook demonstrates the best and fastest way to estimate those properties most relevant for the efficiency and pharmacokinetic performance of a drug molecule: lipophilicity,solubility, electronic properties and conformation.
Inhaltsverzeichnis zu „Molecular Drug Properties “
INTRODUCTIONGlobal drug propertiesPhysicochemical Properties in Drug ProfilingELECTRONIC PROPERTIESDrug Ionization and Physicochemical ProfilingElectrotopological state indicesPolar surface areaCalculation of Hydrogen Bonding CapabilitiesCONFORMATION3D structure generationLigand Conformational Sampling TechniquesConformational analysis of drugs by NMRSOLUBILITYExperimental approaches to aqueous solubilitySolubility Calculation approachesLIPOPHILICITYPartitioning approaches for measuring logPchromatographic approachesSubstructure-based logP calculationProperty-based logP calculationLogD: measurement and calculationDRUG- AND LEAD-LIKENESSProperties guiding drug- and leadlikeness
Autoren-Porträt
Raimund Mannhold is Professor for Molecular Drug Research at the University of Düsseldorf, Germany. His scientific interests lie with QSAR studies and related methods to determine and predict drug properties. He is a founding editor of the book series 'Methods and Principles in Medicinal Chemistry' and serves on the editorial boards of several journals in the field of medicinal chemistry and drug design.
Bibliographische Angaben
- 2007, XXX, 472 Seiten, 17 farbige Abbildungen, 86 Schwarz-Weiß-Abbildungen, Maße: 17,7 x 24,6 cm, Gebunden, Englisch
- Herausgegeben: Raimund Mannhold, Hugo Kubinyi, Gerd Folkers
- Verlag: Wiley-VCH
- ISBN-10: 3527317554
- ISBN-13: 9783527317554
- Erscheinungsdatum: 24.10.2007
Sprache:
Englisch
Rezension zu „Molecular Drug Properties “
Molecular Drug Properties: Measurement and Prediction is a good read and a useful book and will provide valuable advice to the ever increasing diversity of researchers tackling the task of drug design." (Journal of Medicinal Chemistry, January 22, 2009)
Pressezitat
Molecular Drug Properties: Measurement and Prediction is a good read and a useful book and will provide valuable advice to the ever increasing diversity of researchers tackling the task of drug design." ( Journal of Medicinal Chemistry , January 22, 2009)
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