Antitargets Prediction and Prevention of Drug Side Effects 1st Edition by Roy Vaz, Thomas Klabunde, Raimund Mannhold, Hugo Kubinyi, Gerd Folkers ISBN 3527318216 9783527318216

Antitargets: Prediction and Prevention of Drug Side Effects 1st Edition by Roy J. Vaz, Thomas Klabunde, Raimund Mannhold, Hugo Kubinyi, Gerd Folkers – Ebook PDF Instant Download/Delivery: 3527318216, 9783527318216

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Product details:

ISBN 10: 3527318216

ISBN 13: 9783527318216

Author: Roy J. Vaz, Thomas Klabunde, Raimund Mannhold, Hugo Kubinyi, Gerd Folkers

Antitargets: Prediction and Prevention of Drug Side Effects 1st Edition: This practice-oriented handbook surveys current knowledge on the prediction and prevention of adverse drug reactions related to off-target activity of small molecule drugs. It is unique in collating the current approaches into a single source, and includes several highly instructive case studies that may be used as guidelines on how to improve drug development projects.
With its large section on ADME-related effects, this is key knowledge for every drug developer.

 

Antitargets: Prediction and Prevention of Drug Side Effects 1st Edition Table of contents:

Part I: General Aspects

• Chapter 1: Why drugs fail – a study on side effects in new chemical entities (Pages: 1-22)
• Chapter 2: Use of broad biological profiling as a relevant descriptor to describe and differentiate compounds (Pages: 23-52)

Part II: Antitargets: Ion Channels and GPCRs

• Chapter 3: Pharmacological and regulatory aspects of QT prolongation (Pages: 53-88)
• Chapter 4: hERG channel physiology and drug-binding structure–activity relationships (Pages: 89-108)
• Chapter 5: QSAR and pharmacophores for drugs involved in hERG blockage (Pages: 109-126)
• Chapter 6: GPCR antitarget modeling: pharmacophore models to avoid GPCR-mediated side effects (Pages: 127-141)
• Chapter 7: The emergence of serotonin 5-HT2B receptors as drug antitargets (Pages: 143-154)
• Chapter 8: Computational modeling of selective pharmacophores at the α1-adrenergic receptors (Pages: 155-193)

Part III: Antitargets: Cytochrome P450s and Transporters

• Chapter 9: Cytochrome P450s: drug–drug interactions (Pages: 195-246)
• Chapter 10: Site of metabolism predictions: facts and experiences (Pages: 247-265)
• Chapter 11: Irreversible cytochrome P450 inhibition: common substructures and implications for drug development (Pages: 267-276)
• Chapter 12: MetaSite: understanding CYP antitarget modeling for early toxicity detection (Pages: 277-292)
• Chapter 13: Orphan nuclear receptor PXR-mediated gene regulation in drug metabolism and endobiotic homeostasis (Pages: 293-316)
• Chapter 14: Ligand features essential for cytochrome P450 induction (Pages: 317-339)
• Chapter 15: Transporters and drugs – an overview (Pages: 341-366)
• Chapter 16: Computational models for P-glycoprotein substrates and inhibitors (Pages: 367-397)

Part IV: Case Studies of Drug Optimization Against Antitargets

• Chapter 17: Selective dipeptidyl peptidase IV inhibitors for the treatment of type 2 diabetes: the discovery of JANUVIA™ (sitagliptin) (Pages: 399-422)
• Chapter 18: Strategy and tactics for hERG optimizations (Pages: 423-455)
• Chapter 19: Structure-based in silico driven optimization: discovery of the selective 5-HT1A agonist PRX-00023 (Pages: 457-475)

 

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