Choose an application

• Reference Manager
• EndNote
• RefWorks (Direct export to RefWorks)

After a necessary introduction to replace the QSAR in its historical context and methodology, we try to evaluate its potential, limitations and the ways that are utilized nowadays. For this purpose, the European evaluation program of chemical safety (REACH) is used as a concrete example of opportunity for QSAR. The advantages and disadvantages associated to the QSAR use within REACH, will be judged both economically and ethically but foremost from the point of view of toxicology. Following this, we will try to explain and to objectify the poor results of QSAR that are often criticized and the highlight the recent efforts mad to correct them. The prediction accuracy and certainly of the chemical activity that use a simple equation stay a myth. But the utility of QSAR for some purposed is itself real. Après une brève introduction visant à situer le QSAR dans son contexte historique et méthodologique, nous tenterons d’évaluer son potentiel, ses limites et les manières dont les modèles sont actuellement mis à profit. Pour ce faire, le programme d’évaluation de la sureté des substances chimiques au sein de l’Union Européenne (REACH) est utilisé comme exemple concret et actuel de débouchés pour le QSAR. Les avantages et inconvénients étant associés à son utilisation au sein de REACH, seront jugés tant au point de vue économique qu’éthique et avant tout du point de vue toxicologique. Suite à cela, nous tenterons d’expliquer et d’objectiver le manque de résultats souvent reproché au QSAR et soulignerons les récents efforts réalisés pour y remédier. Si prédire avec exactitude et certitude l’activité d’une substance chimique à l’aide d’une simple équation reste confiné au domaine du mythe, l’utilité du QSAR à certaines fins est quant à elle bien réelle.

Quantitative Structure-Activity Relationship

Choose an application

• Reference Manager
• EndNote
• RefWorks (Direct export to RefWorks)

Biochemistry --- Environmental Pollutants --- Structure-Activity Relationship --- congresses --- adverse effects --- congresses.

Choose an application

• Reference Manager
• EndNote
• RefWorks (Direct export to RefWorks)

Membrane proteins --- Membrane Proteins --- Structure-Activity Relationship --- Congresses.

Choose an application

• Reference Manager
• EndNote
• RefWorks (Direct export to RefWorks)

Quantitative Structure-Activity Relationship --- Drug Resistance, Microbial --- Endocrine Disruptors

Choose an application

• Reference Manager
• EndNote
• RefWorks (Direct export to RefWorks)

For thousands of years, pharmacological knowledge coming from natural remedies, has been handed down from generation to generation, without any awareness of the ways in which preparations are made to face diseases. The advent of pharmaceutical chemistry and of the modern drug industry turned that lack of awareness into a scientific knowledge that changed the destiny of the human race. The twenty-eight chapters of this book, are taken from the lectures held by Professor Ettore Novellino every year in his course “Pharmaceutical Chemistry and Toxicology 2”. The first chapters address the basic notions of drugs, homeostasis, pharmacopoeia, and receptor; then, the different pharmaceutical classes are introduced by analyzing their pharmacological and chemical aspects. In particular, the structural study of the interaction between drugs and receptors or biological enzymes gives the fundamentals to connect the chemical and stereochemical properties of a compound family, with the biological activity, a correlation better known as Quantitative Structure-Activity Relationship (QSAR). Several examples of the synthesis of some of the most historically renown drugs, provided at the end of each chapter, integrate the book.

Metabotropic receptor --- Pharmaceutical Chemistry --- Quantitative Structure-Activity Relationship