In silico improvement of drug candidates

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Identifiant

Unité de recherche

INNOSUISSE

Numéro de projet

8194.1;4 LSPP-LS

Titre du projet

In silico improvement of drug candidates

Titre du projet anglais

In silico improvement of drug candidates

Textes relatifs à ce projet

	Allemand	Français	Italien	Anglais
Description succincte	-	-	-
Résumé des résultats (Abstract)	-	-	-

Textes saisis

Catégorie	Texte
Description succincte (Anglais)	In silico improvement of drug candidates
Résumé des résultats (Abstract) (Anglais)	The objectives of this collaboration, which is the continuation of the work started two years ago, are a) the furtheroptimization of EphB4 kinase inhibitors from lead compounds to development candidates, and b) the improvement ofBACE inhibitors from hit to lead compounds, i.e. from low-micromolar to nanomolar affinities. Furthermore,methodological improvements will include the treatment of protein flexibility in high-throughput docking and thefurther development of our computer programs for structure-based lead optimization.

Catégorie

Texte

Description succincte
(Anglais)

In silico improvement of drug candidates

Résumé des résultats (Abstract)
(Anglais)

The objectives of this collaboration, which is the continuation of the work started two years ago, are a) the furtheroptimization of EphB4 kinase inhibitors from lead compounds to development candidates, and b) the improvement ofBACE inhibitors from hit to lead compounds, i.e. from low-micromolar to nanomolar affinities. Furthermore,methodological improvements will include the treatment of protein flexibility in high-throughput docking and thefurther development of our computer programs for structure-based lead optimization.