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Antitargets [[electronic resource] ] : prediction and prevention of drug side effects / / edited by Roy J. Vaz and Thomas Klabunde
| Antitargets [[electronic resource] ] : prediction and prevention of drug side effects / / edited by Roy J. Vaz and Thomas Klabunde |
| Pubbl/distr/stampa | Weinheim, : Wiley-VCH |
| Descrizione fisica | 1 online resource (506 p.) |
| Disciplina | 615.704 |
| Altri autori (Persone) |
VazRoy J
KlabundeThomas |
| Collana | Methods and principles in medicinal chemistry |
| Soggetto topico |
Drugs - Side effects
Drugs - Side effects - Prevention Drug interactions Drug development Drugs - Structure-activity relationships |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-282-78430-7
9786612784309 3-527-62147-4 3-527-62146-6 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Antitargets; Contents; List of Contributors; Preface; I General Aspects; 1 Why Drugs Fail - A Study on Side Effects in New Chemical Entities; 1.1 Introduction; 1.2 Drugs Withdrawn from the Market between 1992 and 2006 Listed Alphabetically; 1.2.1 Amineptine; 1.2.2 Aminophenazone (Aminopyrine); 1.2.3 Astemizole; 1.2.4 Bromfenac Sodium; 1.2.5 Cerivastatin; 1.2.6 Chlormezanone; 1.2.7 Fenfluramine and Dexfenfluramine; 1.2.8 Flosequinan; 1.2.9 Glafenine; 1.2.10 Grepafloxacin; 1.2.11 Levacetylmethadol; 1.2.12 Mibefradil; 1.2.13 Rapacuronium Bromide; 1.2.14 Rofecoxib; 1.2.15 Temafloxacin
1.2.16 Troglitazone1.2.17 Ximelagatran; 1.3 Borderline Cases; 1.4 Investigational Drugs That Failed in Clinical Phases from 1992 to 2002; 1.4.1 A Case Study: Fialuridine; 1.4.2 A Recent Case Study: Torcetrapib; 1.4.3 General Reasons for Project Failing in Clinical Phases I-III; 1.5 Strategies for Avoiding Failure; 1.6 An Unusual Case: The Revival of Thalidomide; References; 2 Use of Broad Biological Profiling as a Relevant Descriptor to Describe and Differentiate Compounds: Structure-In Vitro (Pharmacology-ADME)-In Vivo (Safety) Relationships; 2.1 Introduction 2.1.1 Biological Profiling/Fingerprints and Drug Discovery Applications2.1.2 Polypharmacology of Drugs; 2.2 The BioPrint(®) Approach; 2.2.1 BioPrint(®) - General; 2.2.2 BioPrint(®) Assay Selection and Profile Description; 2.2.3 Compounds in BioPrint(®); 2.2.4 BioPrint(®) In Vivo Data sets; 2.2.4.1 Compound Details; 2.2.4.2 ADR Data; 2.2.4.3 Pharmacokinetics; 2.2.4.4 Toxicity Data; 2.3 Structure-In Vitro Relationships; 2.3.1 Similarity, Chemotypes - What Is a Biologically Relevant Descriptor?; 2.3.2 Using Biological Fingerprints as a Meaningful Descriptor for Drug Leads and Candidates 2.3.2.1 Differentiation of Leads2.3.2.2 Analysis of Attrited Compounds; 2.3.3 Structural versus Experimental Differentiation - Dependence on Structure-Derived Descriptor Used; 2.3.4 Predictive Models from Pharmacological Data; 2.3.5 Predictive Models from ADME Data - BioPrint(®) Learnings; 2.4 Chemogenomic Analysis - Target-Target Relationships; 2.5 In Vitro-In Vivo Relationships - Placing Drug Candidates in the Context of BioPrint(®); 2.5.1 Analyzing Potential ADR Liabilities Based on Individual Hits; 2.5.2 Analyzing Potential ADR Liabilities Based on Profile Similarity 2.6 A Perspective for the FutureReferences; II Antitargets: Ion Channels and GPCRs; 3 Pharmacological and Regulatory Aspects of QT Prolongation; 3.1 Introduction; 3.2 hERG: Target Versus Antitarget; 3.3 Pharmacology of QT Prolongation; 3.3.1 Multiple Mechanisms Leading to QT Prolongation; 3.3.2 hERG as the Key Mechanism for the Drug-Induced Long QT Syndrome; 3.3.3 Pharmacogenetic Aspects; 3.4 Significance of Drug-Induced QT Prolongation; 3.4.1 Prolonged QT/QTc and Occurrence of TdP; 3.4.2 Dose-Response Relationship for QT Prolongation; 3.5 Regulatory Aspects of QT Prolongation 3.5.1 Regulatory Guidance Documents |
| Record Nr. | UNINA-9910145982103321 |
| Weinheim, : Wiley-VCH | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Antitargets [[electronic resource] ] : prediction and prevention of drug side effects / / edited by Roy J. Vaz and Thomas Klabunde
| Antitargets [[electronic resource] ] : prediction and prevention of drug side effects / / edited by Roy J. Vaz and Thomas Klabunde |
| Pubbl/distr/stampa | Weinheim, : Wiley-VCH |
| Descrizione fisica | 1 online resource (506 p.) |
| Disciplina | 615.704 |
| Altri autori (Persone) |
VazRoy J
KlabundeThomas |
| Collana | Methods and principles in medicinal chemistry |
| Soggetto topico |
Drugs - Side effects
Drugs - Side effects - Prevention Drug interactions Drug development Drugs - Structure-activity relationships |
| ISBN |
1-282-78430-7
9786612784309 3-527-62147-4 3-527-62146-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Antitargets; Contents; List of Contributors; Preface; I General Aspects; 1 Why Drugs Fail - A Study on Side Effects in New Chemical Entities; 1.1 Introduction; 1.2 Drugs Withdrawn from the Market between 1992 and 2006 Listed Alphabetically; 1.2.1 Amineptine; 1.2.2 Aminophenazone (Aminopyrine); 1.2.3 Astemizole; 1.2.4 Bromfenac Sodium; 1.2.5 Cerivastatin; 1.2.6 Chlormezanone; 1.2.7 Fenfluramine and Dexfenfluramine; 1.2.8 Flosequinan; 1.2.9 Glafenine; 1.2.10 Grepafloxacin; 1.2.11 Levacetylmethadol; 1.2.12 Mibefradil; 1.2.13 Rapacuronium Bromide; 1.2.14 Rofecoxib; 1.2.15 Temafloxacin
1.2.16 Troglitazone1.2.17 Ximelagatran; 1.3 Borderline Cases; 1.4 Investigational Drugs That Failed in Clinical Phases from 1992 to 2002; 1.4.1 A Case Study: Fialuridine; 1.4.2 A Recent Case Study: Torcetrapib; 1.4.3 General Reasons for Project Failing in Clinical Phases I-III; 1.5 Strategies for Avoiding Failure; 1.6 An Unusual Case: The Revival of Thalidomide; References; 2 Use of Broad Biological Profiling as a Relevant Descriptor to Describe and Differentiate Compounds: Structure-In Vitro (Pharmacology-ADME)-In Vivo (Safety) Relationships; 2.1 Introduction 2.1.1 Biological Profiling/Fingerprints and Drug Discovery Applications2.1.2 Polypharmacology of Drugs; 2.2 The BioPrint(®) Approach; 2.2.1 BioPrint(®) - General; 2.2.2 BioPrint(®) Assay Selection and Profile Description; 2.2.3 Compounds in BioPrint(®); 2.2.4 BioPrint(®) In Vivo Data sets; 2.2.4.1 Compound Details; 2.2.4.2 ADR Data; 2.2.4.3 Pharmacokinetics; 2.2.4.4 Toxicity Data; 2.3 Structure-In Vitro Relationships; 2.3.1 Similarity, Chemotypes - What Is a Biologically Relevant Descriptor?; 2.3.2 Using Biological Fingerprints as a Meaningful Descriptor for Drug Leads and Candidates 2.3.2.1 Differentiation of Leads2.3.2.2 Analysis of Attrited Compounds; 2.3.3 Structural versus Experimental Differentiation - Dependence on Structure-Derived Descriptor Used; 2.3.4 Predictive Models from Pharmacological Data; 2.3.5 Predictive Models from ADME Data - BioPrint(®) Learnings; 2.4 Chemogenomic Analysis - Target-Target Relationships; 2.5 In Vitro-In Vivo Relationships - Placing Drug Candidates in the Context of BioPrint(®); 2.5.1 Analyzing Potential ADR Liabilities Based on Individual Hits; 2.5.2 Analyzing Potential ADR Liabilities Based on Profile Similarity 2.6 A Perspective for the FutureReferences; II Antitargets: Ion Channels and GPCRs; 3 Pharmacological and Regulatory Aspects of QT Prolongation; 3.1 Introduction; 3.2 hERG: Target Versus Antitarget; 3.3 Pharmacology of QT Prolongation; 3.3.1 Multiple Mechanisms Leading to QT Prolongation; 3.3.2 hERG as the Key Mechanism for the Drug-Induced Long QT Syndrome; 3.3.3 Pharmacogenetic Aspects; 3.4 Significance of Drug-Induced QT Prolongation; 3.4.1 Prolonged QT/QTc and Occurrence of TdP; 3.4.2 Dose-Response Relationship for QT Prolongation; 3.5 Regulatory Aspects of QT Prolongation 3.5.1 Regulatory Guidance Documents |
| Record Nr. | UNINA-9910830632603321 |
| Weinheim, : Wiley-VCH | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Antitargets and drug safety / / edited by Lásló Urbán, Vinod F. Patel, and Roy J. Vaz
| Antitargets and drug safety / / edited by Lásló Urbán, Vinod F. Patel, and Roy J. Vaz |
| Pubbl/distr/stampa | Weinheim, Germany : , : Wiley-VCH, , [2015] |
| Descrizione fisica | 1 online resource (1266 p.) |
| Disciplina | 615.19 |
| Collana | Methods and principles in medicinal chemistry |
| Soggetto topico |
Drugs - Side effects
Drugs - Side effects - Prevention Drug interactions Drug development Drugs - Structure-activity relationships Drug-Related Side Effects and Adverse Reactions Protein Kinase Inhibitors - adverse effects Pharmacovigilance |
| ISBN |
3-527-67364-4
3-527-67366-0 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | section 1. General concept for target-based safety assessment -- section 2. Hepatic side effects -- section 3. Cardiovascular side effects -- section 4. Kinase antitargets -- section 5. Examples of clinical translation. |
| Record Nr. | UNINA-9910132261703321 |
| Weinheim, Germany : , : Wiley-VCH, , [2015] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Antitargets and drug safety / / edited by Lásló Urbán, Vinod F. Patel, and Roy J. Vaz
| Antitargets and drug safety / / edited by Lásló Urbán, Vinod F. Patel, and Roy J. Vaz |
| Pubbl/distr/stampa | Weinheim, Germany : , : Wiley-VCH, , [2015] |
| Descrizione fisica | 1 online resource (1266 p.) |
| Disciplina | 615.19 |
| Collana | Methods and principles in medicinal chemistry |
| Soggetto topico |
Drugs - Side effects
Drugs - Side effects - Prevention Drug interactions Drug development Drugs - Structure-activity relationships Drug-Related Side Effects and Adverse Reactions Protein Kinase Inhibitors - adverse effects Pharmacovigilance |
| ISBN |
3-527-67364-4
3-527-67366-0 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | section 1. General concept for target-based safety assessment -- section 2. Hepatic side effects -- section 3. Cardiovascular side effects -- section 4. Kinase antitargets -- section 5. Examples of clinical translation. |
| Record Nr. | UNINA-9910823349403321 |
| Weinheim, Germany : , : Wiley-VCH, , [2015] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Drug-like properties [[electronic resource] ] : concepts, structure design and methods : from ADME to toxicity optimization / / Edward H. Kerns and Li Di
| Drug-like properties [[electronic resource] ] : concepts, structure design and methods : from ADME to toxicity optimization / / Edward H. Kerns and Li Di |
| Autore | Kerns Edward Harvel |
| Pubbl/distr/stampa | Amsterdam ; ; Boston, : Academic Press, c2008 |
| Descrizione fisica | 1 online resource (549 p.) |
| Disciplina | 615/.19 |
| Altri autori (Persone) | DiLi |
| Soggetto topico |
Pharmaceutical chemistry
Drugs - Structure-activity relationships Drug development Drugs - Design |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-281-76371-3
9786611763718 0-08-095162-7 0-08-055761-9 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Front Cover; Drug-like Properties: Concepts, Structure Design and Methods: from ADME to Toxicity Optimization; Copyright Page; Table of Contents; Preface; Dedication; Part 1 Introductory Concepts; Chapter 1 Introduction; Problems; References; Chapter 2 Advantages of Good Drug-like Properties; 2.1 Drug-like Properties Are an Integral Part of Drug Discovery; 2.1.1 Many Properties Are of Interest in Discovery; 2.1.2 Introduction to the Drug Discovery and Development Process; 2.1.3 Development Attrition is Reduced by Improving Drug Properties
2.1.4 Poor Drug Properties Also Cause Discovery Inefficiencies2.1.5 Marginal Drug Properties Cause Inefficiencies During Development; 2.1.6 Poor Properties Can Cause Poor Discovery Research; 2.2 Changing Emphasis on Properties in Discovery; 2.3 Property Profiling in Discovery; 2.4 Drug-like Property Optimization in Discovery; Problems; References; Chapter 3 Barriers to Drug Exposure in Living Systems; 3.1 Introduction to Barriers; 3.2 Drug Dosing; 3.3 Barriers in the Mouth and Stomach; 3.4 Gastrointestinal Tract Barriers; 3.4.1 Permeation of the Gastrointestinal Cellular Membrane 3.4.2 Passive Diffusion at the Molecular Level3.4.3 Metabolism in the Intestine; 3.4.4 Enzymatic Hydrolysis in the Intestine; 3.4.5 Absorption Enhancement in the Intestine; 3.5 Barriers in the Bloodstream; 3.5.1 Plasma Enzyme Hydrolysis; 3.5.2 Plasma Protein Binding; 3.5.3 Red Blood Cell Binding; 3.6 Barriers in the Liver; 3.6.1 Metabolism; 3.6.2 Biliary Excretion; 3.7 Barriers in the Kidney; 3.8 Blood-Tissue Barriers; 3.9 Tissue Distribution; 3.10 Consequences of Chirality on Barriers and Properties; 3.11 Overview of In Vivo Barriers; Problems; References; Part 2 Physicochemical Properties Chapter 4 Rules for Rapid Property Profiling from Structure4.1 Lipinski Rules; 4.2 Veber Rules; 4.3 Other Rules; 4.4 Application of Rules for Compound Assessment; Problems; References; Chapter 5 Lipophilicity; 5.1 Lipophilicity Fundamentals; 5.2 Lipophilicity Effects; 5.3 Lipophilicity Case Studies and Structure Modification; Problems; References; Chapter 6 pKa; 6.1 pKa Fundamentals; 6.2 pKa Effects; 6.3 pKa Case Studies; 6.4 Structure Modification Strategies for pKa; Problems; References; Chapter 7 Solubility; 7.1 Solubility Fundamentals 7.1.1 Solubility Varies with Structure and Physical Conditions7.1.2 Dissolution Rate; 7.1.3 Structural Properties Affect Solubility; 7.1.4 Kinetic and Thermodynamic Solubility; 7.2 Effects of Solubility; 7.2.1 Low Solubility Limits Absorption and Causes Low Oral Bioavailability; 7.2.2 Good Solubility is Essential for IV Formulation; 7.2.3 Acceptance Criteria and Classifications for Solubility; 7.2.4 Molecular Properties for Solubility and Permeability Often are Opposed; 7.3 Effects of Physiology on Solubility and Absorption; 7.3.1 Physiology of the Gastrointestinal Tract 7.3.2 Species Differences in Gastrointestinal Tract |
| Record Nr. | UNINA-9910453434903321 |
Kerns Edward Harvel
|
||
| Amsterdam ; ; Boston, : Academic Press, c2008 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Drug-like properties : concepts, structure design and methods : from ADME to toxicity optimization / / Edward H. Kerns and Li Di
| Drug-like properties : concepts, structure design and methods : from ADME to toxicity optimization / / Edward H. Kerns and Li Di |
| Autore | Kerns Edward Harvel |
| Pubbl/distr/stampa | Amsterdam ; ; Boston : , : Academic Press, , 2008 |
| Descrizione fisica | 1 online resource (xix, 526 pages, 2 unnumbered pages of plates) : illustrations (some color) |
| Disciplina | 615/.19 |
| Altri autori (Persone) | DiLi |
| Soggetto topico |
Pharmaceutical chemistry
Drugs - Structure-activity relationships Drug development Drugs - Design |
| ISBN |
1-281-76371-3
9786611763718 0-08-095162-7 0-08-055761-9 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Front Cover; Drug-like Properties: Concepts, Structure Design and Methods: from ADME to Toxicity Optimization; Copyright Page; Table of Contents; Preface; Dedication; Part 1 Introductory Concepts; Chapter 1 Introduction; Problems; References; Chapter 2 Advantages of Good Drug-like Properties; 2.1 Drug-like Properties Are an Integral Part of Drug Discovery; 2.1.1 Many Properties Are of Interest in Discovery; 2.1.2 Introduction to the Drug Discovery and Development Process; 2.1.3 Development Attrition is Reduced by Improving Drug Properties
2.1.4 Poor Drug Properties Also Cause Discovery Inefficiencies; 2.1.5 Marginal Drug Properties Cause Inefficiencies During Development; 2.1.6 Poor Properties Can Cause Poor Discovery Research; 2.2 Changing Emphasis on Properties in Discovery; 2.3 Property Profiling in Discovery; 2.4 Drug-like Property Optimization in Discovery; Problems; References; Chapter 3 Barriers to Drug Exposure in Living Systems; 3.1 Introduction to Barriers; 3.2 Drug Dosing; 3.3 Barriers in the Mouth and Stomach; 3.4 Gastrointestinal Tract Barriers; 3.4.1 Permeation of the Gastrointestinal Cellular Membrane 3.4.2 Passive Diffusion at the Molecular Level; 3.4.3 Metabolism in the Intestine; 3.4.4 Enzymatic Hydrolysis in the Intestine; 3.4.5 Absorption Enhancement in the Intestine; 3.5 Barriers in the Bloodstream; 3.5.1 Plasma Enzyme Hydrolysis; 3.5.2 Plasma Protein Binding; 3.5.3 Red Blood Cell Binding; 3.6 Barriers in the Liver; 3.6.1 Metabolism; 3.6.2 Biliary Excretion; 3.7 Barriers in the Kidney; 3.8 Blood-Tissue Barriers; 3.9 Tissue Distribution; 3.10 Consequences of Chirality on Barriers and Properties; 3.11 Overview of In Vivo Barriers; Problems; References; Part 2 Physicochemical Properties Chapter 4 Rules for Rapid Property Profiling from Structure; 4.1 Lipinski Rules; 4.2 Veber Rules; 4.3 Other Rules; 4.4 Application of Rules for Compound Assessment; Problems; References; Chapter 5 Lipophilicity; 5.1 Lipophilicity Fundamentals; 5.2 Lipophilicity Effects; 5.3 Lipophilicity Case Studies and Structure Modification; Problems; References; Chapter 6 pKa; 6.1 pKa Fundamentals; 6.2 pKa Effects; 6.3 pKa Case Studies; 6.4 Structure Modification Strategies for pKa; Problems; References; Chapter 7 Solubility; 7.1 Solubility Fundamentals 7.1.1 Solubility Varies with Structure and Physical Conditions; 7.1.2 Dissolution Rate; 7.1.3 Structural Properties Affect Solubility; 7.1.4 Kinetic and Thermodynamic Solubility; 7.2 Effects of Solubility; 7.2.1 Low Solubility Limits Absorption and Causes Low Oral Bioavailability; 7.2.2 Good Solubility is Essential for IV Formulation; 7.2.3 Acceptance Criteria and Classifications for Solubility; 7.2.4 Molecular Properties for Solubility and Permeability Often are Opposed; 7.3 Effects of Physiology on Solubility and Absorption; 7.3.1 Physiology of the Gastrointestinal Tract; 7.3.2 Species Differences in Gastrointestinal Tract |
| Record Nr. | UNINA-9910782360503321 |
|
Kerns Edward Harvel
|
||
| Amsterdam ; ; Boston : , : Academic Press, , 2008 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Drug-like properties : concepts, structure design and methods : from ADME to toxicity optimization / / Edward H. Kerns and Li Di
| Drug-like properties : concepts, structure design and methods : from ADME to toxicity optimization / / Edward H. Kerns and Li Di |
| Autore | Kerns Edward Harvel |
| Edizione | [1st ed.] |
| Pubbl/distr/stampa | Amsterdam ; ; Boston : , : Academic Press, , 2008 |
| Descrizione fisica | 1 online resource (xix, 526 pages, 2 unnumbered pages of plates) : illustrations (some color) |
| Disciplina |
615/.19
615.19 |
| Altri autori (Persone) | DiLi |
| Soggetto topico |
Pharmaceutical chemistry
Drugs - Structure-activity relationships Drug development Drugs - Design |
| ISBN |
1-281-76371-3
9786611763718 0-08-095162-7 0-08-055761-9 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Front Cover; Drug-like Properties: Concepts, Structure Design and Methods: from ADME to Toxicity Optimization; Copyright Page; Table of Contents; Preface; Dedication; Part 1 Introductory Concepts; Chapter 1 Introduction; Problems; References; Chapter 2 Advantages of Good Drug-like Properties; 2.1 Drug-like Properties Are an Integral Part of Drug Discovery; 2.1.1 Many Properties Are of Interest in Discovery; 2.1.2 Introduction to the Drug Discovery and Development Process; 2.1.3 Development Attrition is Reduced by Improving Drug Properties
2.1.4 Poor Drug Properties Also Cause Discovery Inefficiencies; 2.1.5 Marginal Drug Properties Cause Inefficiencies During Development; 2.1.6 Poor Properties Can Cause Poor Discovery Research; 2.2 Changing Emphasis on Properties in Discovery; 2.3 Property Profiling in Discovery; 2.4 Drug-like Property Optimization in Discovery; Problems; References; Chapter 3 Barriers to Drug Exposure in Living Systems; 3.1 Introduction to Barriers; 3.2 Drug Dosing; 3.3 Barriers in the Mouth and Stomach; 3.4 Gastrointestinal Tract Barriers; 3.4.1 Permeation of the Gastrointestinal Cellular Membrane 3.4.2 Passive Diffusion at the Molecular Level; 3.4.3 Metabolism in the Intestine; 3.4.4 Enzymatic Hydrolysis in the Intestine; 3.4.5 Absorption Enhancement in the Intestine; 3.5 Barriers in the Bloodstream; 3.5.1 Plasma Enzyme Hydrolysis; 3.5.2 Plasma Protein Binding; 3.5.3 Red Blood Cell Binding; 3.6 Barriers in the Liver; 3.6.1 Metabolism; 3.6.2 Biliary Excretion; 3.7 Barriers in the Kidney; 3.8 Blood-Tissue Barriers; 3.9 Tissue Distribution; 3.10 Consequences of Chirality on Barriers and Properties; 3.11 Overview of In Vivo Barriers; Problems; References; Part 2 Physicochemical Properties Chapter 4 Rules for Rapid Property Profiling from Structure; 4.1 Lipinski Rules; 4.2 Veber Rules; 4.3 Other Rules; 4.4 Application of Rules for Compound Assessment; Problems; References; Chapter 5 Lipophilicity; 5.1 Lipophilicity Fundamentals; 5.2 Lipophilicity Effects; 5.3 Lipophilicity Case Studies and Structure Modification; Problems; References; Chapter 6 pKa; 6.1 pKa Fundamentals; 6.2 pKa Effects; 6.3 pKa Case Studies; 6.4 Structure Modification Strategies for pKa; Problems; References; Chapter 7 Solubility; 7.1 Solubility Fundamentals 7.1.1 Solubility Varies with Structure and Physical Conditions; 7.1.2 Dissolution Rate; 7.1.3 Structural Properties Affect Solubility; 7.1.4 Kinetic and Thermodynamic Solubility; 7.2 Effects of Solubility; 7.2.1 Low Solubility Limits Absorption and Causes Low Oral Bioavailability; 7.2.2 Good Solubility is Essential for IV Formulation; 7.2.3 Acceptance Criteria and Classifications for Solubility; 7.2.4 Molecular Properties for Solubility and Permeability Often are Opposed; 7.3 Effects of Physiology on Solubility and Absorption; 7.3.1 Physiology of the Gastrointestinal Tract; 7.3.2 Species Differences in Gastrointestinal Tract |
| Record Nr. | UNINA-9910827925703321 |
|
Kerns Edward Harvel
|
||
| Amsterdam ; ; Boston : , : Academic Press, , 2008 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Drug-membrane interactions [[electronic resource] ] : analysis, drug distribution, modeling / / Joachim K. Seydel and Michael Wiese
| Drug-membrane interactions [[electronic resource] ] : analysis, drug distribution, modeling / / Joachim K. Seydel and Michael Wiese |
| Autore | Seydel J. K (Joachim Karl) |
| Pubbl/distr/stampa | Weinheim, : Wiley-VCH, c2002 |
| Descrizione fisica | 1 online resource (371 p.) |
| Disciplina |
615
615.7 615.7045 |
| Altri autori (Persone) | WieseMichael, Dr. |
| Collana | Methods and principles in medicinal chemistry |
| Soggetto topico |
Drugs - Structure-activity relationships
Drugs - Mechanism of action Bilayer lipid membranes - Effect of drugs on |
| ISBN |
1-280-55836-9
3-527-61649-7 3-527-60063-9 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Drug-Membrane Interactions; Contents; Preface; Foreword; Introduction; 1 Function, Composition, and Organization of Membranes; 1.1 The Physiology of Cells and the Importance of Membranes for their Function; 1.2 Composition and Organization of Membranes; 1.2.1 Mammalian Membranes; 1.2.2 Bacterial Membranes; 1.2.3 Fungal Membranes; 1.2.4 Artificial Membranes, Liposome Preparation, and Properties; 1.3 Dynamic Molecular Organization of Membranes; 1.3.1 Thermotropic and Lysotropic Mesomorphism of Phospholipids; 1.3.2 Phase Separation and Domain Formation
1.4 Possible Effects of Drugs on Membranes and Effects of Membranes on Drug Molecules References; 2 Octanol-Water Partitioning versus Partitioning into Membranes; References; 3 Analytical Tools for the Analysis and Quantification of Drug-Membrane Interactions; 3.1 High-performance Liquid Chromatography (HPLC); 3.1.1 Determination of the Retention Time on "Artificial Membrane" Columns; 3.2 Displacement of (45)Ca(2+) from Phospholipid Head Groups; 3.2.1 Studies of Drug-Membrane Interactions using Phospholipid Monolayers; 3.3 Differential Scanning Calorimetry (DSC) 3.3.1 Phase Transition and Domain Formation 3.4 Fluorescence Techniques; 3.5 Fourier Transform Infrared Spectroscopy (FT-IR); 3.6 Electron Spin Resonance (ESR); 3.7 Small-angle Neutron and X-ray Diffraction; 3.8 Nuclear Magnetic Resonance (NMR); 3.8.1 Study of Membrane Polymorphism by (31)P-NMR; 3.8.2 Effect of Cholesterol and Diacylglycerols; 3.8.3 Effect of Drugs; 3.8.3.1 (31)P-NMR for the Study of Changes in Orientation of Phospholipid Head Group; 3.8.4 Determination of Drug Transmembrane Transport; 3.8.5 (1)H-NMR in Combination with Pr(3+) for the Study of Drug Location 3.8.6 The Use of (2)H-NMR and (13)C-NMR to Determine the Degree of Order and the Molecular Dynamics of Membranes 3.8.7 Change in relaxation rate, 1/T2: a Method of Quantifying Drug-Membrane Interaction; 3.8.8 NOE-NMR in the Study of Membrane-induced Changes in Drug Conformation; 3.9 Circular Dichroism (CD); 3.10 UV Spectroscopy; 3.11 Combined Techniques for Studying Drug-Membrane Interaction; 3.11.1 Combination of DSC and NMR; 3.11.2 Combination of DSC and X-ray Diffraction; 3.11.3 Combination of DSC and ESR; 3.11.4 Combination of DSC and Fluorescence; 3.11.5 Combination of FT-IR and NMR 3.11.6 Combination of UV and (2)H-NMR 3.11.7 Combination of DSC, FT-IR, and NMR; 3.12 Summary; References; 4 Drug-Membrane Interaction and Pharmacokinetics of Drugs; 4.1 Drug Transport; 4.1.1 Absorption Models; 4.1.1.1 Caco-2 Cells as an Absorption Model; 4.1.1.2 Parallel Artificial Membrane Permeation Assay (PAMPA); 4.1.1.3 Surface Plasmon Resonance Biosensor Technique; 4.1.1.4 The Use of IAM Columns; 4.1.1.5 Partitioning into Immobilized Liposomes; 4.1.2 Computational Methods, QSAR; 4.2 Drug Distribution; 4.2.1 Distribution into the Brain Compartment 4.2.2 Distribution, Localization, and Orientation of Drugs in Various Tissues and Membranes |
| Record Nr. | UNINA-9910146244303321 |
|
Seydel J. K (Joachim Karl)
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| Weinheim, : Wiley-VCH, c2002 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Drug-membrane interactions : analysis, drug distribution, modeling / / Joachim K. Seydel and Michael Wiese
| Drug-membrane interactions : analysis, drug distribution, modeling / / Joachim K. Seydel and Michael Wiese |
| Autore | Seydel J. K (Joachim Karl) |
| Edizione | [1st ed.] |
| Pubbl/distr/stampa | Weinheim, : Wiley-VCH, c2002 |
| Descrizione fisica | 1 online resource (371 p.) |
| Disciplina |
615
615.7 615.7045 |
| Altri autori (Persone) | WieseMichael, Dr. |
| Collana | Methods and principles in medicinal chemistry |
| Soggetto topico |
Drugs - Structure-activity relationships
Drugs - Mechanism of action Bilayer lipid membranes - Effect of drugs on |
| ISBN |
1-280-55836-9
3-527-61649-7 3-527-60063-9 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Drug-Membrane Interactions; Contents; Preface; Foreword; Introduction; 1 Function, Composition, and Organization of Membranes; 1.1 The Physiology of Cells and the Importance of Membranes for their Function; 1.2 Composition and Organization of Membranes; 1.2.1 Mammalian Membranes; 1.2.2 Bacterial Membranes; 1.2.3 Fungal Membranes; 1.2.4 Artificial Membranes, Liposome Preparation, and Properties; 1.3 Dynamic Molecular Organization of Membranes; 1.3.1 Thermotropic and Lysotropic Mesomorphism of Phospholipids; 1.3.2 Phase Separation and Domain Formation
1.4 Possible Effects of Drugs on Membranes and Effects of Membranes on Drug Molecules References; 2 Octanol-Water Partitioning versus Partitioning into Membranes; References; 3 Analytical Tools for the Analysis and Quantification of Drug-Membrane Interactions; 3.1 High-performance Liquid Chromatography (HPLC); 3.1.1 Determination of the Retention Time on "Artificial Membrane" Columns; 3.2 Displacement of (45)Ca(2+) from Phospholipid Head Groups; 3.2.1 Studies of Drug-Membrane Interactions using Phospholipid Monolayers; 3.3 Differential Scanning Calorimetry (DSC) 3.3.1 Phase Transition and Domain Formation 3.4 Fluorescence Techniques; 3.5 Fourier Transform Infrared Spectroscopy (FT-IR); 3.6 Electron Spin Resonance (ESR); 3.7 Small-angle Neutron and X-ray Diffraction; 3.8 Nuclear Magnetic Resonance (NMR); 3.8.1 Study of Membrane Polymorphism by (31)P-NMR; 3.8.2 Effect of Cholesterol and Diacylglycerols; 3.8.3 Effect of Drugs; 3.8.3.1 (31)P-NMR for the Study of Changes in Orientation of Phospholipid Head Group; 3.8.4 Determination of Drug Transmembrane Transport; 3.8.5 (1)H-NMR in Combination with Pr(3+) for the Study of Drug Location 3.8.6 The Use of (2)H-NMR and (13)C-NMR to Determine the Degree of Order and the Molecular Dynamics of Membranes 3.8.7 Change in relaxation rate, 1/T2: a Method of Quantifying Drug-Membrane Interaction; 3.8.8 NOE-NMR in the Study of Membrane-induced Changes in Drug Conformation; 3.9 Circular Dichroism (CD); 3.10 UV Spectroscopy; 3.11 Combined Techniques for Studying Drug-Membrane Interaction; 3.11.1 Combination of DSC and NMR; 3.11.2 Combination of DSC and X-ray Diffraction; 3.11.3 Combination of DSC and ESR; 3.11.4 Combination of DSC and Fluorescence; 3.11.5 Combination of FT-IR and NMR 3.11.6 Combination of UV and (2)H-NMR 3.11.7 Combination of DSC, FT-IR, and NMR; 3.12 Summary; References; 4 Drug-Membrane Interaction and Pharmacokinetics of Drugs; 4.1 Drug Transport; 4.1.1 Absorption Models; 4.1.1.1 Caco-2 Cells as an Absorption Model; 4.1.1.2 Parallel Artificial Membrane Permeation Assay (PAMPA); 4.1.1.3 Surface Plasmon Resonance Biosensor Technique; 4.1.1.4 The Use of IAM Columns; 4.1.1.5 Partitioning into Immobilized Liposomes; 4.1.2 Computational Methods, QSAR; 4.2 Drug Distribution; 4.2.1 Distribution into the Brain Compartment 4.2.2 Distribution, Localization, and Orientation of Drugs in Various Tissues and Membranes |
| Record Nr. | UNINA-9910827977203321 |
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Seydel J. K (Joachim Karl)
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| Weinheim, : Wiley-VCH, c2002 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Hit and lead profiling : identification and optimization of drug-like molecules
| Hit and lead profiling : identification and optimization of drug-like molecules |
| Pubbl/distr/stampa | [Place of publication not identified], : Wiley VCH, 2009 |
| Collana | Methods and principles in medicinal chemistry Hit and lead profiling |
| Soggetto topico |
Drugs - Design
Drugs - Structure-activity relationships Pharmaceutical chemistry Pharmacological Phenomena Biochemical Phenomena Pharmacological Processes Chemistry, Pharmaceutical Investigative Techniques Physiological Phenomena Analytical, Diagnostic and Therapeutic Techniques and Equipment Chemical Phenomena Pharmacology Chemistry Physiological Processes Phenomena and Processes Natural Science Disciplines Biological Science Disciplines Disciplines and Occupations Drug Discovery Drug Interactions Structure-Activity Relationship Health & Biological Sciences Pharmacy, Therapeutics, & Pharmacology |
| ISBN | 3-527-62744-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910139417203321 |
| [Place of publication not identified], : Wiley VCH, 2009 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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