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Current medicinal chemistry
| Current medicinal chemistry |
| Pubbl/distr/stampa | Schiphol, the Netherlands, : Bentham Science Publishers |
| Descrizione fisica | 1 online resource |
| Soggetto topico |
Pharmaceutical chemistry
Drugs - Design Chemistry, Pharmaceutical Drug Design |
| Soggetto genere / forma |
Periodical
Periodicals. |
| ISSN | 1875-533X |
| Formato | Materiale a stampa  |
| Livello bibliografico | Periodico |
| Lingua di pubblicazione | eng |
| Record Nr. | UNISA-996336049803316 |
| Schiphol, the Netherlands, : Bentham Science Publishers | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. di Salerno | ||
| ||
Current pharmaceutical design
| Current pharmaceutical design |
| Pubbl/distr/stampa | Schiphol, the Netherlands, : Bentham Science Publishers |
| Descrizione fisica | 1 online resource |
| Soggetto topico |
Drugs - Design
Pharmacy Drug Design Technology, Pharmaceutical |
| Soggetto genere / forma |
Periodical
Review Periodicals. |
| ISSN | 1873-4286 |
| Formato | Materiale a stampa |
| Livello bibliografico | Periodico |
| Lingua di pubblicazione | eng |
| Record Nr. | UNISA-996336218703316 |
| Schiphol, the Netherlands, : Bentham Science Publishers | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. di Salerno | ||
| ||
De novo molecular design / / edited by Gisbert Schneider ; cover design Mannheim Formgeber
| De novo molecular design / / edited by Gisbert Schneider ; cover design Mannheim Formgeber |
| Pubbl/distr/stampa | Weinheim, Germany : , : Wiley-VCH, , 2014 |
| Descrizione fisica | 1 online resource (578 p.) |
| Disciplina | 639.485 |
| Altri autori (Persone) |
SchneiderGisbert
FormgeberMannheim |
| Soggetto topico |
Drugs - Design
Molecular structure |
| ISBN |
3-527-67703-8
3-527-67701-1 3-527-67700-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
De novo Molecular Design; Title Page; Copyright; Contents; List of Contributors; Foreword; Preface; Chapter 1 De Novo Design: From Models to Molecules; 1.1 Molecular Representation; 1.2 The Molecular Design Cycle; 1.3 Receptor-Ligand Interaction; 1.4 Modeling Fitness Landscapes; 1.4.1 Na ̈ive Bayes Classifier; 1.4.2 Artificial Neural Network; 1.4.3 Support Vector Machine; 1.4.4 Gaussian Process; 1.5 Strategies for Compound Construction; 1.6 Strategies for Compound Scoring; 1.6.1 Receptor-Based Scoring; 1.6.2 Ligand-Based Scoring; 1.7 Flashback Forward: A Brief History of De Novo Drug Design
1.8 ConclusionsAcknowledgments; References; Chapter 2 Coping with Complexity in Molecular Design; 2.1 Introduction; 2.2 A Simple Model of Molecular Interactions; 2.3 Enhancements to the Simple Complexity Model; 2.4 Enumerating and Sampling the Complexity of Chemical Space; 2.5 Validation of the Complexity Model; 2.6 Reductionism and Drug Design; 2.7 Complexity and Information Content as a Factor in De Novo Design; 2.8 Complexity of Thermodynamic Entropy and Drug Design; 2.9 Complex Systems, Emergent Behavior, and Molecular Design; Acknowledgments; References; Chapter 3 The Human Pocketome 3.1 Predicted Pockets3.2 Compilation of the Validated Human Pocketome; 3.3 Diversity and Redundancy of the Human Pocketome; 3.4 Compound Activity Prediction by Ligand-Pocket Docking and Scoring; 3.4.1 Optimizing Pocket Sets for Reliable Docking and Scoring Results; 3.4.2 Difficult Cases: Unusually Large and Multifunctional Pockets; 3.5 Pocketome-Derived 3D Chemical Fields as Activity Prediction Models; 3.6 Clustering the Ligands by Function and Subpockets; 3.7 Conclusions; Acknowledgments; References; Chapter 4 Structure-Based De Novo Drug Design; 4.1 Introduction 4.2 Current Progress in SBDND Methodologies4.2.1 Identification of Binding Site; 4.2.2 Design of Molecules; 4.2.2.1 Atom-Based versus Fragment-Based Methods; 4.2.2.2 Pharmacophore-Based Methods; 4.2.3 Searching the Chemical Space; 4.2.3.1 Monte Carlo-Based Methods; 4.2.3.2 Evolutionary Algorithms; 4.2.4 Scoring Methods; 4.2.4.1 Force-Field-Based Scoring Functions; 4.2.4.2 Empirical Scoring Functions; 4.2.4.3 Knowledge-Based Scoring Functions; 4.2.4.4 Consensus Scoring; 4.2.5 Synthetic Accessibility; 4.3 Recent Applications of Structure-Based De Novo Design; 4.4 Perspectives and Conclusion AcknowledgmentReferences; Chapter 5 De Novo Design by Fragment Growing and Docking; 5.1 Introduction; 5.2 Case Study I: High-Throughput Screening with Dr Feils; 5.2.1 Target Identification; 5.2.2 Small-Molecule Library Design; 5.2.2.1 Computer Docking; 5.2.2.2 Pharmacophore Searching; 5.2.3 High-Throughput Screening; 5.2.4 Optimization; 5.3 Case Study II: Fragment-Based Drug Design with Dr Goode; 5.3.1 Library Generation; 5.3.1.1 Computational Techniques for Library Refinement; 5.3.2 Detection Methods; 5.3.2.1 Functional/High-Concentration Screening 5.3.2.2 Fluorescence-Based Thermal Shift Assay (TSA) |
| Record Nr. | UNINA-9910138998103321 |
| Weinheim, Germany : , : Wiley-VCH, , 2014 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
De novo molecular design / / edited by Gisbert Schneider ; cover design Mannheim Formgeber
| De novo molecular design / / edited by Gisbert Schneider ; cover design Mannheim Formgeber |
| Pubbl/distr/stampa | Weinheim, Germany : , : Wiley-VCH, , 2014 |
| Descrizione fisica | 1 online resource (578 p.) |
| Disciplina | 639.485 |
| Altri autori (Persone) |
SchneiderGisbert
FormgeberMannheim |
| Soggetto topico |
Drugs - Design
Molecular structure |
| ISBN |
3-527-67703-8
3-527-67701-1 3-527-67700-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
De novo Molecular Design; Title Page; Copyright; Contents; List of Contributors; Foreword; Preface; Chapter 1 De Novo Design: From Models to Molecules; 1.1 Molecular Representation; 1.2 The Molecular Design Cycle; 1.3 Receptor-Ligand Interaction; 1.4 Modeling Fitness Landscapes; 1.4.1 Na ̈ive Bayes Classifier; 1.4.2 Artificial Neural Network; 1.4.3 Support Vector Machine; 1.4.4 Gaussian Process; 1.5 Strategies for Compound Construction; 1.6 Strategies for Compound Scoring; 1.6.1 Receptor-Based Scoring; 1.6.2 Ligand-Based Scoring; 1.7 Flashback Forward: A Brief History of De Novo Drug Design
1.8 ConclusionsAcknowledgments; References; Chapter 2 Coping with Complexity in Molecular Design; 2.1 Introduction; 2.2 A Simple Model of Molecular Interactions; 2.3 Enhancements to the Simple Complexity Model; 2.4 Enumerating and Sampling the Complexity of Chemical Space; 2.5 Validation of the Complexity Model; 2.6 Reductionism and Drug Design; 2.7 Complexity and Information Content as a Factor in De Novo Design; 2.8 Complexity of Thermodynamic Entropy and Drug Design; 2.9 Complex Systems, Emergent Behavior, and Molecular Design; Acknowledgments; References; Chapter 3 The Human Pocketome 3.1 Predicted Pockets3.2 Compilation of the Validated Human Pocketome; 3.3 Diversity and Redundancy of the Human Pocketome; 3.4 Compound Activity Prediction by Ligand-Pocket Docking and Scoring; 3.4.1 Optimizing Pocket Sets for Reliable Docking and Scoring Results; 3.4.2 Difficult Cases: Unusually Large and Multifunctional Pockets; 3.5 Pocketome-Derived 3D Chemical Fields as Activity Prediction Models; 3.6 Clustering the Ligands by Function and Subpockets; 3.7 Conclusions; Acknowledgments; References; Chapter 4 Structure-Based De Novo Drug Design; 4.1 Introduction 4.2 Current Progress in SBDND Methodologies4.2.1 Identification of Binding Site; 4.2.2 Design of Molecules; 4.2.2.1 Atom-Based versus Fragment-Based Methods; 4.2.2.2 Pharmacophore-Based Methods; 4.2.3 Searching the Chemical Space; 4.2.3.1 Monte Carlo-Based Methods; 4.2.3.2 Evolutionary Algorithms; 4.2.4 Scoring Methods; 4.2.4.1 Force-Field-Based Scoring Functions; 4.2.4.2 Empirical Scoring Functions; 4.2.4.3 Knowledge-Based Scoring Functions; 4.2.4.4 Consensus Scoring; 4.2.5 Synthetic Accessibility; 4.3 Recent Applications of Structure-Based De Novo Design; 4.4 Perspectives and Conclusion AcknowledgmentReferences; Chapter 5 De Novo Design by Fragment Growing and Docking; 5.1 Introduction; 5.2 Case Study I: High-Throughput Screening with Dr Feils; 5.2.1 Target Identification; 5.2.2 Small-Molecule Library Design; 5.2.2.1 Computer Docking; 5.2.2.2 Pharmacophore Searching; 5.2.3 High-Throughput Screening; 5.2.4 Optimization; 5.3 Case Study II: Fragment-Based Drug Design with Dr Goode; 5.3.1 Library Generation; 5.3.1.1 Computational Techniques for Library Refinement; 5.3.2 Detection Methods; 5.3.2.1 Functional/High-Concentration Screening 5.3.2.2 Fluorescence-Based Thermal Shift Assay (TSA) |
| Record Nr. | UNINA-9910830794003321 |
| Weinheim, Germany : , : Wiley-VCH, , 2014 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Design and development of new nanocarriers / / edited by Alexandru Mihai Grumezescu
| Design and development of new nanocarriers / / edited by Alexandru Mihai Grumezescu |
| Pubbl/distr/stampa | Oxford, United Kingdom : , : William Andrew, , 2018 |
| Descrizione fisica | 1 online resource (742 pages) : illustrations (some color), tables |
| Disciplina | 615.6 |
| Collana | Pharmaceutical Nanotechnology Series |
| Soggetto topico |
Drug delivery systems
Drugs - Design Nanostructures |
| ISBN |
0-12-813628-6
0-12-813627-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910583324003321 |
| Oxford, United Kingdom : , : William Andrew, , 2018 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Design of hybrid molecules for drug development / / edited by Michael Decker
| Design of hybrid molecules for drug development / / edited by Michael Decker |
| Pubbl/distr/stampa | London, [England] : , : Elsevier, , 2017 |
| Descrizione fisica | 1 online resource (354 pages) : illustrations, tables |
| Disciplina | 615.19 |
| Soggetto topico | Drugs - Design |
| ISBN | 0-08-101118-0 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910583098103321 |
| London, [England] : , : Elsevier, , 2017 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Development of therapeutic agents handbook [[electronic resource] /] / [edited by] Shayne Cox Gad
| Development of therapeutic agents handbook [[electronic resource] /] / [edited by] Shayne Cox Gad |
| Pubbl/distr/stampa | Hoboken, N.J., : John Wiley & Sons, c2012 |
| Descrizione fisica | 1 online resource (1278 p.) |
| Disciplina |
615.19
615/.19 |
| Altri autori (Persone) | GadShayne C. <1948-> |
| Collana | Pharmaceutical Development Series |
| Soggetto topico |
Drugs - Research
Drugs - Design Pharmaceutical chemistry Drug development Drug Design Chemistry, Pharmaceutical - methods |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-118-07711-3
1-283-31590-4 9786613315908 1-118-07710-5 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | pt. 1. Fundamentals and concepts -- pt. 2. Methods and techniques in drug discovery and development -- pt. 3. Therapeutics topics. |
| Record Nr. | UNINA-9910457204303321 |
| Hoboken, N.J., : John Wiley & Sons, c2012 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Development of therapeutic agents handbook [[electronic resource] /] / [edited by] Shayne Cox Gad
| Development of therapeutic agents handbook [[electronic resource] /] / [edited by] Shayne Cox Gad |
| Pubbl/distr/stampa | Hoboken, N.J., : John Wiley & Sons, c2012 |
| Descrizione fisica | 1 online resource (1278 p.) |
| Disciplina |
615.19
615/.19 |
| Altri autori (Persone) | GadShayne C. <1948-> |
| Collana | Pharmaceutical Development Series |
| Soggetto topico |
Drugs - Research
Drugs - Design Pharmaceutical chemistry Drug development Drug Design Chemistry, Pharmaceutical - methods |
| ISBN |
1-118-07711-3
1-283-31590-4 9786613315908 1-118-07710-5 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | pt. 1. Fundamentals and concepts -- pt. 2. Methods and techniques in drug discovery and development -- pt. 3. Therapeutics topics. |
| Record Nr. | UNINA-9910781962103321 |
| Hoboken, N.J., : John Wiley & Sons, c2012 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Development of therapeutic agents handbook [[electronic resource] /] / [edited by] Shayne Cox Gad
| Development of therapeutic agents handbook [[electronic resource] /] / [edited by] Shayne Cox Gad |
| Pubbl/distr/stampa | Hoboken, N.J., : John Wiley & Sons, c2012 |
| Descrizione fisica | 1 online resource (1278 p.) |
| Disciplina |
615.19
615/.19 |
| Altri autori (Persone) | GadShayne C. <1948-> |
| Collana | Pharmaceutical Development Series |
| Soggetto topico |
Drugs - Research
Drugs - Design Pharmaceutical chemistry Drug development Drug Design Chemistry, Pharmaceutical - methods |
| ISBN |
1-118-07711-3
1-283-31590-4 9786613315908 1-118-07710-5 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | pt. 1. Fundamentals and concepts -- pt. 2. Methods and techniques in drug discovery and development -- pt. 3. Therapeutics topics. |
| Record Nr. | UNINA-9910808987003321 |
| Hoboken, N.J., : John Wiley & Sons, c2012 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Discovery DMPK quick guide : guide to data interpretation and integration / / S. Cyrus Khojasteh [and three others]
| Discovery DMPK quick guide : guide to data interpretation and integration / / S. Cyrus Khojasteh [and three others] |
| Pubbl/distr/stampa | Cham, Switzerland : , : Springer International Publishing, , [2022] |
| Descrizione fisica | 1 online resource (241 pages) |
| Disciplina | 615.19 |
| Soggetto topico |
Drug development
Drugs - Design |
| ISBN | 3-031-10691-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Goals for DMPK during drug optimizations -- Drug Properties -- DMPK in lead optimization -- Candidate translational characterization -- Q&A of DMPK issues and tools for drug discovery -- ADME assays -- Regulatory documents for IND to Support FIH -- Appendix: Chemical nomenclature. |
| Record Nr. | UNINA-9910634041203321 |
| Cham, Switzerland : , : Springer International Publishing, , [2022] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Soggetto topico
-
Drugs - Design
(307)
- Pharmaceutical chemistry (91)
- Drug development (68)
- Drug Design (35)
- Biopharmaceutics (16)