Theoretical Aspects of Rational Drug Design (RDD): An Overview: Role of QSAR in drug design - Couverture souple

Ray, Supratim

 
9783659249280: Theoretical Aspects of Rational Drug Design (RDD): An Overview: Role of QSAR in drug design
Couverture souple
ISBN 10 : 3659249289 ISBN 13 : 9783659249280
Editeur : LAP LAMBERT Academic Publishing, 2012

Synopsis

To attain the ultimate goal of RDD and to aid in the postulation of drug action mechanisms at the subcellular level, two techniques have been considered: i) statistical methods to correlate biological activity data with either arbitrary parameters or free energy-related physico-chemical properties of the drug molecule, and ii) theoretical calculations of electronic structure by the molecular orbital methods of quantum chemistry, i.e., electronic indices are compared with biological response to gain a better understanding of drug-receptor interactions. The goals of QSAR studies include: i) better understanding of the modes of actions; ii) Prediction of new analogs with better activity; iii) Optimization of the lead compound to reduced toxicity and increase selectivity; iv) to develop more effective drugs in a scientific way potentially reducing the cost of drug discovery, time and manpower requirement. The theoretical part of drug design involves both structure-activity and structure-property relationship study.This book provide a brief overview on the various aspects of rational drug designing.

Les informations fournies dans la section « Synopsis » peuvent faire référence à une autre édition de ce titre.

Présentation de l'éditeur

To attain the ultimate goal of RDD and to aid in the postulation of drug action mechanisms at the subcellular level, two techniques have been considered: i) statistical methods to correlate biological activity data with either arbitrary parameters or free energy-related physico-chemical properties of the drug molecule, and ii) theoretical calculations of electronic structure by the molecular orbital methods of quantum chemistry, i.e., electronic indices are compared with biological response to gain a better understanding of drug-receptor interactions. The goals of QSAR studies include: i) better understanding of the modes of actions; ii) Prediction of new analogs with better activity; iii) Optimization of the lead compound to reduced toxicity and increase selectivity; iv) to develop more effective drugs in a scientific way potentially reducing the cost of drug discovery, time and manpower requirement. The theoretical part of drug design involves both structure-activity and structure-property relationship study.This book provide a brief overview on the various aspects of rational drug designing.

Les informations fournies dans la section « A propos du livre » peuvent faire référence à une autre édition de ce titre.

Éditeur
LAP LAMBERT Academic Publishing
Date d'édition
2012
Langue
anglais
ISBN 10 
3659249289
ISBN 13 
9783659249280
Reliure
Broché
Nombre de pages
64
Coordonnées du fabricant
non disponible
Personne responsable
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