Computer-Aided Drug Design: Development of New Heterocyclic Molecules - Couverture souple

El Khatabi, Khalil; AJANA, Mohammed Aziz; Bouachrine, Mohammed

 
9786204980867: Computer-Aided Drug Design: Development of New Heterocyclic Molecules
Couverture souple
ISBN 10 : 6204980866 ISBN 13 : 9786204980867
Editeur : LAP LAMBERT Academic Publishing, 2022

Synopsis

The application of computer-assisted drug design methods to the identification of new inhibitors targeting the responsible receptors of the studied diseases is described in this book. After synthesizing a range of analogs, a structure-activity relationship (SAR) may be established, and the SAR could then be utilized as a guideline for future synthesis and optimization. Computer simulations of ligand-receptor complexes provide also structural insights into the interactions, allowing the hit-to-lead optimization process to be rationally driven. Further, Lipinski's rule of five and ADMET prediction were performed to identify new inhibitors for the above targets. The designed lead compounds pave the way for the development of safe and effective clinical candidates that might one day be used to treat the above-mentioned diseases. We will focus our discussion in this book on the several intriguing scientific papers published by our research group in a variety of international journals.

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

Éditeur
LAP LAMBERT Academic Publishing
Date d'édition
2022
Langue
anglais
ISBN 10 
6204980866
ISBN 13 
9786204980867
Reliure
Broché
Nombre de pages
160
Coordonnées du fabricant
non disponible
Personne responsable
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