Details

Chemical Drug Design provides a compact overview on recent advances in this rapidly developing field. With contributions on in silico drug design, natural product based compounds, as well as on ligand- and structure-based approaches, the authors present innovative methods and techniques for identifying and synthetically designing novel drugs.

• Preface
• Table of Contents
• List of Contributing Authors
• 1 Overview of chemical drug design
  • 1.1 Drug design
  • 1.2 Rational drug design
  • 1.3 Ligand-based drug design
  • 1.4 Structure-based drug design
  • 1.5 Pharmacophore-based approaches
  • 1.6 Structure-based approaches
  • 1.7 New lead generation
  • 1.8 Structure evaluation
  • 1.9 Future directions
• 2 Drug designing in novel drug discovery: Trends, scope and relevance
  • 2.1 Introduction
  • 2.2 Drug designing
  • 2.3 Applications of SBDD
  • 2.4 Applications of LBDD
  • 2.5 Role of cheminformatics in drug discovery
  • 2.6 Conclusion
• 3 Structure- and ligand-based approaches in drug designing
  • 3.1 Drug discovery
  • 3.2 Drug design
  • 3.3 Drug designing techniques
  • 3.4 Quantitative Structure-Activity Relationship (QSAR)
  • 3.5 Physicochemical parameters
  • 3.6 Biological parameters
  • 3.7 Statistical terms in QSAR
• 4 Drug design applied to natural products against neglected diseases
  • 4.1 Natural products
  • 4.2 Medicinal chemistry
  • 4.3 Docking
  • 4.4 Neglected diseases
  • 4.5 Final considerations
• 5 Natural product hybrid compounds as drug leads
  • 5.1 Introduction
  • 5.2 Naturally occurring hybrids/conjugates of natural products
  • 5.3 Synthetic hybrids of whole natural products
  • 5.4 Conclusion
• 6 Drug metabolism
  • 6.1 Introduction
  • 6.2 Phase I Metabolic reactions
  • 6.3 Oxidative mechanisms
  • 6.4 Reductive reactions
  • 6.5 Hydrolytic reactions
  • 6.6 Phase II conjugation reactions
  • 6.7 Factors affecting drug metabolism
• 7 Mistletoe lectin: A promising cancer therapeutic
  • 7.1 Introduction
  • 7.2 Anticancer potency of bacteria/plant lectins
  • 7.3 Anticancer potency of mistletoe and the underlying mechanisms
  • 7.4 Mistletoe lectins
  • 7.5 Future directions
  • 7.6 Concluding remarks
• 8 Antipsychotics
  • 8.1 Introduction
  • 8.2 History
  • 8.3 Etiology of schizophrenia and related psychoses
  • 8.4 Potential mechanism of action of antipsychotics
  • 8.5 Structure-activity relationships and pharmacology of the drugs
  • 8.6 Research into future treatments for schizophrenia and related psychoses
• 9 Chemometric analysis: A novel tool for herbal drug analysis and designing
  • 9.1 Introduction
  • 9.2 Experimental
  • 9.3 Data analysis and quality evaluation
  • 9.4 Results and discussion
  • 9.5 Conclusion
• 10 Copper and its complexes: A pharmaceutical perspectives
  • 10.1 Introduction
  • 10.2 Source of dietetic copper
  • 10.3 Recommended concentration of copper for human diet
  • 10.4 Copper consumption and suggestions
  • 10.5 Mechanism of copper transport in humans
  • 10.6 Copper deficiency and symptoms
  • 10.7 Copper metabolism and major diseases
  • 10.8 Copper metabolism and hypothesized health problems
  • 10.9 Copper complexes as an emerging tool in pharmaceutical sciences
  • 10.10 Concluding remarks
• 11 Thiazole: A privileged scaffold in drug discovery
  • 11.1 Introduction
  • 11.2 Synthetic routes for the construction of the thiazole ring
  • 11.3 Thiazole as privileged scaffold in synthetic drugs
  • 11.4 Ritonavir
  • 11.5 Nitazoxanide
  • 11.6 Sulfathiazole
  • 11.7 Thiabendazole
  • 11.8 Fatostatin
  • 11.9 Dasatinib
  • 11.10 Tiazofurin
  • 11.11 CYC116
  • 11.12 NCH-31
  • 11.13 TAK-715
  • 11.14 Meloxicam
  • 11.15 Nizatidine
  • 11.16 Famotidine
  • 11.17 Conclusion
• Index