Pharmacophore modeling methods in focused library selection - applications in the context of a new classification scheme.
Comb Chem High Throughput Screen
; 14(6): 488-99, 2011 Jul.
Article
in En
| MEDLINE
| ID: mdl-21521148
ABSTRACT
A pharmacophore is a model which represents the key physico-chemical interactions that mediate biological activity. There is a long history of using pharmacophore modeling methods to select subsets of compounds, focused towards a specific target of interest. This paper will review existing computational methods for deriving and comparing pharmacophore models. We outline a new classification of pharmacophore methods based on the abstraction of the underlying chemical interactions which embody a pharmacophore, and the methods available to quantitatively compare them. Within the context of this classification, example studies, using specific pharmacophore modeling methods for focused library selection, will be discussed.
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Collection:
01-internacional
Database:
MEDLINE
Main subject:
Drug Design
/
Models, Molecular
/
Small Molecule Libraries
Type of study:
Prognostic_studies
Limits:
Animals
/
Humans
Language:
En
Journal:
Comb Chem High Throughput Screen
Journal subject:
BIOLOGIA MOLECULAR
/
QUIMICA
Year:
2011
Document type:
Article
Affiliation country:
United kingdom