Info
Automation applications in bio-pharmaceuticals
| Automation applications in bio-pharmaceuticals |
| Autore | Buckbee George |
| Pubbl/distr/stampa | [Place of publication not identified], : ISA, 2008 |
| Disciplina | 615/.190285 |
| Soggetto topico |
Pharmaceutical biotechnology - Automation
Technology Pharmacology Investigative Techniques Industry Pharmacy Diagnostic Techniques and Procedures Health Occupations Biological Science Disciplines Technology, Industry, and Agriculture Methods Technology, Pharmaceutical Biopharmaceutics Drug Industry Natural Science Disciplines Occupations Health & Biological Sciences Pharmacy, Therapeutics, & Pharmacology |
| ISBN |
9781643311722
1643311727 9781615835454 1615835458 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Hardware & software -- Applications -- People, projects, and profitability -- Computer system validation -- Batch processing -- Advanced techniques. |
| Record Nr. | UNINA-9911006578303321 |
Buckbee George
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| [Place of publication not identified], : ISA, 2008 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Computational drug design : a guide for computational and medicinal chemists / / David C. Young
| Computational drug design : a guide for computational and medicinal chemists / / David C. Young |
| Autore | Young David C. <1964-> |
| Edizione | [1st ed.] |
| Pubbl/distr/stampa | Hoboken, N.J., : John Wiley & Sons, c2009 |
| Descrizione fisica | 1 online resource (xxxvi, 307 pages) : illustrations |
| Disciplina | 615/.190285 |
| Soggetto topico |
Drugs - Design - Mathematical models
Drugs - Design - Data processing |
| ISBN |
9786612267833
9781282267831 1282267833 9780470451854 0470451858 9780470451847 047045184X |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
COMPUTATIONAL DRUG DESIGN; CONTENTS; PREFACE; ACKNOWLEDGMENTS; ABOUT THE AUTHOR; SYMBOLS USED IN THIS BOOK; BOOK ABSTRACT; 1 Introduction; 1.1 A Difficult Problem; 1.2 An Expensive Problem; 1.3 Where Computational Techniques are Used; Bibliography; PART I THE DRUG DESIGN PROCESS; 2 Properties that Make a Molecule a Good Drug; 2.1 Compound Testing; 2.1.1 Biochemical Assays; 2.1.2 Cell-Based Assays; 2.1.3 Animal Testing; 2.1.4 Human Clinical Trials; 2.2 Molecular Structure; 2.2.1 Activity; 2.2.2 Bioavailability and Toxicity; 2.2.3 Drug Side Effects; 2.2.4 Multiple Drug Interactions
2.3 Metrics for Drug-Likeness; 2.4 Exceptions to the Rules; Bibliography; 3 Target Identification; 3.1 Primary Sequence and Metabolic Pathway; 3.2 Crystallography; 3.3 2D NMR; 3.4 Homology Models; 3.5 Protein Folding; Bibliography; 4 Target Characterization; 4.1 Analysis of Target Mechanism; 4.1.1 Kinetics and Crystallography; 4.1.2 Automated Crevice Detection; 4.1.3 Transition Structures and Reaction Coordinates; 4.1.4 Molecular Dynamics Simulations; 4.2 Where the Target is Expressed; 4.3 Pharmacophore Identification; 4.4 Choosing an Inhibitor Mechanism; Bibliography 5 The Drug Design Process for a Known Protein Target; 5.1 The Structure-Based Design Process; 5.2 Initial Hits; 5.3 Compound Refinement; 5.4 ADMET; 5.5 Drug Resistance; Bibliography; 6 The Drug Design Process for an Unknown Target; 6.1 The Ligand-Based Design Process; 6.2 Initial Hits; 6.3 Compound Refinement; 6.4 ADMET; Bibliography; 7 Drug Design for Other Targets; 7.1 DNA Binding; 7.2 RNA as a Target; 7.3 Allosteric Sites; 7.4 Receptor Targets; 7.5 Steroids; 7.6 Targets inside Cells; 7.7 Targets within the Central Nervous System; 7.8 Irreversibly Binding Inhibitors 7.9 Upregulating Target Activity; Bibliography; 8 Compound Library Design; 8.1 Targeted Libraries versus Diverse Libraries; 8.2 From Fragments versus from Reactions; 8.3 Non-Enumerative Techniques; 8.4 Drug-Likeness and Synthetic Accessibility; 8.5 Analyzing Chemical Diversity and Spanning known Chemistries; 8.6 Compound Selection Techniques; Bibliography; PART II COMPUTATIONAL TOOLS AND TECHNIQUES; 9 Homology Model Building; 9.1 How much Similarity is Enough?; 9.2 Steps for Building a Homology Model; 9.2.1 Step 1: Template Identification 9.2.2 Step 2: Alignment between the Unknown and the Template; 9.2.3 Step 3: Manual Adjustments to the Alignment; 9.2.4 Step 4: Replace Template Side Chains with Model Side Chains; 9.2.5 Step 5: Adjust Model for Insertions and Deletions; 9.2.6 Step 6: Optimization of the Model; 9.2.7 Step 7: Model Validation; 9.2.8 Step 8: If Errors are Found, Iterate Back to Previous Steps; 9.3 Reliability of Results; Bibliography; 10 Molecular Mechanics; 10.1 A Really Brief Introduction to Molecular Mechanics; 10.2 Force Fields for Drug Design; Bibliography; 11 Protein Folding; 11.1 The Difficulty of the Problem |
| Record Nr. | UNINA-9910145814603321 |
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Young David C. <1964->
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| Hoboken, N.J., : John Wiley & Sons, c2009 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Pathway analysis for drug discovery [[electronic resource] ] : computational infrastructure and applications / / edited by Anton Yuryev
| Pathway analysis for drug discovery [[electronic resource] ] : computational infrastructure and applications / / edited by Anton Yuryev |
| Pubbl/distr/stampa | Hoboken, N.J., : John Wiley & Sons, c2008 |
| Descrizione fisica | 1 online resource (332 p.) |
| Disciplina |
615.19
615/.190285 |
| Altri autori (Persone) | YuryevAnton |
| Collana | Wiley series on technologies for the pharmaceutical industry |
| Soggetto topico |
Drug development - Data processing
DNA microarrays - Data processing Computational biology |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-281-83126-3
9786611831264 0-470-39927-9 0-470-39926-0 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
PATHWAY ANALYSIS FOR DRUG DISCOVERY; CONTENTS; Preface; Contributors; 1 Introduction to Pathway Analysis; 2 Software Infrastructure and Data Model for Pathway Analysis; 3 Automatic Pathway Inference in Heterogeneous Biological Association Networks; 4 Algorithmic Basis for Pathway Visualization; 5 Pathway Analysis of High-Throughput Experimental Data; 6 Integrative Pathway Analysis of Disease Molecular Data; 7 Whole-Genome Expression Profiling of Papillary Serous Ovarian Cancer: Activated Pathways, Potential Targets, and Noise; 8 Mammalian Proteome and Toxicant Network Analysis
9 Unraveling Mechanisms of Toxicity with the Power of Pathways: ToxWiz Tool as an Illustrative Example10 Impact of Chemistry Information on Pathway Analysis; 11 Propagation of Concentration Perturbations in Equilibrium Protein Binding Networks; 12 An Adaptive System Model of the Yeast Glucose Sensor System; 13 Present and Future of Pathway Analysis in Drug Discovery; Index |
| Record Nr. | UNINA-9910144448403321 |
| Hoboken, N.J., : John Wiley & Sons, c2008 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Pathway analysis for drug discovery [[electronic resource] ] : computational infrastructure and applications / / edited by Anton Yuryev
| Pathway analysis for drug discovery [[electronic resource] ] : computational infrastructure and applications / / edited by Anton Yuryev |
| Pubbl/distr/stampa | Hoboken, N.J., : John Wiley & Sons, c2008 |
| Descrizione fisica | 1 online resource (332 p.) |
| Disciplina |
615.19
615/.190285 |
| Altri autori (Persone) | YuryevAnton |
| Collana | Wiley series on technologies for the pharmaceutical industry |
| Soggetto topico |
Drug development - Data processing
DNA microarrays - Data processing Computational biology |
| ISBN |
1-281-83126-3
9786611831264 0-470-39927-9 0-470-39926-0 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
PATHWAY ANALYSIS FOR DRUG DISCOVERY; CONTENTS; Preface; Contributors; 1 Introduction to Pathway Analysis; 2 Software Infrastructure and Data Model for Pathway Analysis; 3 Automatic Pathway Inference in Heterogeneous Biological Association Networks; 4 Algorithmic Basis for Pathway Visualization; 5 Pathway Analysis of High-Throughput Experimental Data; 6 Integrative Pathway Analysis of Disease Molecular Data; 7 Whole-Genome Expression Profiling of Papillary Serous Ovarian Cancer: Activated Pathways, Potential Targets, and Noise; 8 Mammalian Proteome and Toxicant Network Analysis
9 Unraveling Mechanisms of Toxicity with the Power of Pathways: ToxWiz Tool as an Illustrative Example10 Impact of Chemistry Information on Pathway Analysis; 11 Propagation of Concentration Perturbations in Equilibrium Protein Binding Networks; 12 An Adaptive System Model of the Yeast Glucose Sensor System; 13 Present and Future of Pathway Analysis in Drug Discovery; Index |
| Record Nr. | UNINA-9910830835903321 |
| Hoboken, N.J., : John Wiley & Sons, c2008 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Pathway analysis for drug discovery : computational infrastructure and applications / / edited by Anton Yuryev
| Pathway analysis for drug discovery : computational infrastructure and applications / / edited by Anton Yuryev |
| Pubbl/distr/stampa | Hoboken, N.J., : John Wiley & Sons, c2008 |
| Descrizione fisica | 1 online resource (332 p.) |
| Disciplina | 615/.190285 |
| Altri autori (Persone) | YuryevAnton |
| Collana | Wiley series on technologies for the pharmaceutical industry |
| Soggetto topico |
Drug development - Data processing
DNA microarrays - Data processing Computational biology |
| ISBN |
9786611831264
9781281831262 1281831263 9780470399279 0470399279 9780470399262 0470399260 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
PATHWAY ANALYSIS FOR DRUG DISCOVERY; CONTENTS; Preface; Contributors; 1 Introduction to Pathway Analysis; 2 Software Infrastructure and Data Model for Pathway Analysis; 3 Automatic Pathway Inference in Heterogeneous Biological Association Networks; 4 Algorithmic Basis for Pathway Visualization; 5 Pathway Analysis of High-Throughput Experimental Data; 6 Integrative Pathway Analysis of Disease Molecular Data; 7 Whole-Genome Expression Profiling of Papillary Serous Ovarian Cancer: Activated Pathways, Potential Targets, and Noise; 8 Mammalian Proteome and Toxicant Network Analysis
9 Unraveling Mechanisms of Toxicity with the Power of Pathways: ToxWiz Tool as an Illustrative Example10 Impact of Chemistry Information on Pathway Analysis; 11 Propagation of Concentration Perturbations in Equilibrium Protein Binding Networks; 12 An Adaptive System Model of the Yeast Glucose Sensor System; 13 Present and Future of Pathway Analysis in Drug Discovery; Index |
| Record Nr. | UNINA-9911020276303321 |
| Hoboken, N.J., : John Wiley & Sons, c2008 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Virtual ADMET assessment in target selection and maturation [[electronic resource] /] / edited by B. Testa and L. Turski
| Virtual ADMET assessment in target selection and maturation [[electronic resource] /] / edited by B. Testa and L. Turski |
| Pubbl/distr/stampa | Amsterdam ; ; Washington, DC, : IOS Press, c2006 |
| Descrizione fisica | 1 online resource (268 p.) |
| Disciplina | 615/.190285 |
| Altri autori (Persone) |
TestaBernard
TurskiLechoslaw |
| Collana | Solvay Pharmaceuticals Conferences |
| Soggetto topico |
Drug development - Computer simulation
Pharmacology |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-280-81056-4
9786610810567 1-4294-6772-X 1-60750-219-4 600-00-0604-7 1-4337-0155-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Preface; List of Contributors; Contents; Conference Preface; The Risky Business of Developing Drugs; Benefits and Limits of in Silico Predictions; Musings on ADME Predictions and Molecular Structure; Lipophilicity: Its Calculation and Application in ADMET Predictions; Interpretation of the Role of the Electrotopological State and Molecular Connectivity Indices in the Prediction of Physical Properties and ADME-Tox Behavior - Case Study: Human Plasma Protein Binding; Molecular Descriptors for Predicting ADMET Properties; Molecular Fields to Assess Recognition Forces and Property Spaces
Extracting Pharmacophores from Bio-Active MoleculesIn Silico Models for Human Bioavailability; In Silico Models to Predict Brain Uptake; Algorithms to Predict Affinity for Transporters; Predicting Affinity for and Metabolism by Cytochromes P450; Expert Systems to Predict Biotransformation; Expert Systems to Predict Toxicity; From in Vivo to in Vitro/in Silico ADME: Progress and Challenges; Author Index |
| Record Nr. | UNINA-9910450847803321 |
| Amsterdam ; ; Washington, DC, : IOS Press, c2006 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Virtual ADMET assessment in target selection and maturation [[electronic resource] /] / edited by B. Testa and L. Turski
| Virtual ADMET assessment in target selection and maturation [[electronic resource] /] / edited by B. Testa and L. Turski |
| Pubbl/distr/stampa | Amsterdam ; ; Washington, DC, : IOS Press, c2006 |
| Descrizione fisica | 1 online resource (268 p.) |
| Disciplina | 615/.190285 |
| Altri autori (Persone) |
TestaBernard
TurskiLechoslaw |
| Collana | Solvay Pharmaceuticals Conferences |
| Soggetto topico |
Drug development - Computer simulation
Pharmacology |
| ISBN |
1-280-81056-4
9786610810567 1-4294-6772-X 1-60750-219-4 600-00-0604-7 1-4337-0155-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Preface; List of Contributors; Contents; Conference Preface; The Risky Business of Developing Drugs; Benefits and Limits of in Silico Predictions; Musings on ADME Predictions and Molecular Structure; Lipophilicity: Its Calculation and Application in ADMET Predictions; Interpretation of the Role of the Electrotopological State and Molecular Connectivity Indices in the Prediction of Physical Properties and ADME-Tox Behavior - Case Study: Human Plasma Protein Binding; Molecular Descriptors for Predicting ADMET Properties; Molecular Fields to Assess Recognition Forces and Property Spaces
Extracting Pharmacophores from Bio-Active MoleculesIn Silico Models for Human Bioavailability; In Silico Models to Predict Brain Uptake; Algorithms to Predict Affinity for Transporters; Predicting Affinity for and Metabolism by Cytochromes P450; Expert Systems to Predict Biotransformation; Expert Systems to Predict Toxicity; From in Vivo to in Vitro/in Silico ADME: Progress and Challenges; Author Index |
| Record Nr. | UNINA-9910784251903321 |
| Amsterdam ; ; Washington, DC, : IOS Press, c2006 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Virtual ADMET assessment in target selection and maturation / / edited by B. Testa and L. Turski
| Virtual ADMET assessment in target selection and maturation / / edited by B. Testa and L. Turski |
| Edizione | [1st ed.] |
| Pubbl/distr/stampa | Amsterdam ; ; Washington, DC, : IOS Press, c2006 |
| Descrizione fisica | 1 online resource (268 p.) |
| Disciplina | 615/.190285 |
| Altri autori (Persone) |
TestaBernard
TurskiLechoslaw |
| Collana | Solvay Pharmaceuticals Conferences |
| Soggetto topico |
Drug development - Computer simulation
Pharmacology |
| ISBN |
1-280-81056-4
9786610810567 1-4294-6772-X 1-60750-219-4 600-00-0604-7 1-4337-0155-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Preface; List of Contributors; Contents; Conference Preface; The Risky Business of Developing Drugs; Benefits and Limits of in Silico Predictions; Musings on ADME Predictions and Molecular Structure; Lipophilicity: Its Calculation and Application in ADMET Predictions; Interpretation of the Role of the Electrotopological State and Molecular Connectivity Indices in the Prediction of Physical Properties and ADME-Tox Behavior - Case Study: Human Plasma Protein Binding; Molecular Descriptors for Predicting ADMET Properties; Molecular Fields to Assess Recognition Forces and Property Spaces
Extracting Pharmacophores from Bio-Active MoleculesIn Silico Models for Human Bioavailability; In Silico Models to Predict Brain Uptake; Algorithms to Predict Affinity for Transporters; Predicting Affinity for and Metabolism by Cytochromes P450; Expert Systems to Predict Biotransformation; Expert Systems to Predict Toxicity; From in Vivo to in Vitro/in Silico ADME: Progress and Challenges; Author Index |
| Record Nr. | UNINA-9910960327803321 |
| Amsterdam ; ; Washington, DC, : IOS Press, c2006 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||