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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I General Aspects; 1 Why Drugs Fail - A Study on Side Effects in New Chemical Entities; 1.1 Introduction; 1.2 Drugs Withdrawn from the Market between 1992 and 2006 Listed Alphabetically; 1.2.1 Amineptine; 1.2.2 Aminophenazone (Aminopyrine); 1.2.3 Astemizole; 1.2.4 Bromfenac Sodium;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 : prediction and prevention of drug side effects / / edited by Roy J. Vaz and Thomas Klabunde
| Antitargets : 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-9910877316903321 |
| 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, c2008 |
| 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-9910827925703321 |
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Kerns Edward Harvel
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| Amsterdam ; ; Boston, : Academic Press, c2008 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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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 |
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Seydel J. K (Joachim Karl)
|
||
| Weinheim, : Wiley-VCH, c2002 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
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 |
|
Seydel J. K (Joachim Karl)
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||
| Weinheim, : Wiley-VCH, c2002 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
