Retrospective mapping of SAR data for TTR protein in chemico-biological space using ligand efficiency indices as a guide to drug discovery strategies

Molecular Informatics

Volumn 30, Issue 2-3, 2011, Pages 161-167

  Blasi, Daniel ^a   Arsequell, Gemma ^b   Valencia, Gregori ^b   Nieto, Joan ^c   Planas, Antoni ^c   Pinto, Marta ^d   Centeno, Nuria B ^d   Abad Zapatero, Cele ^a,e   Quintana, Jordi ^a  

^a Climate Research Laboratory Parc Cientific de Barcelona   (Spain)

^b INSTITUTE OF ADVANCED CHEMISTRY OF CATALONIA IQAC CSIC   (Spain)

^c INSTITUT QUÍMIC DE SARRIÀ   (Spain)

^d UNIVERSITAT POMPEU FABRA   (Spain)

^e UNIVERSITY OF ILLINOIS AT CHICAGO   (United States)

Author keywords

Amyloid; Chemico biological space; Ligand efficiency indices; TTR

Indexed keywords

BINDING ENERGY; BIOSYNTHESIS; CHELATION; EFFICIENCY; GLYCOPROTEINS; MAPPING; PROTEINS;

AMYLOID; BINDING EFFICIENCY; CHEMICO-BIOLOGICAL SPACE; DRUG DISCOVERY; EFFICIENCY INDEX; LIGAND EFFICIENCY INDEX; POLAR SURFACE AREAS; SAR DATA; TRANSTHYRETIN; TTR;

LIGANDS;

LIGAND; PREALBUMIN;

BINDING AFFINITY; CONFERENCE PAPER; DRUG DESIGN; LIGAND EFFICIENCY; MOLECULAR MODEL; MOLECULAR WEIGHT; PRIORITY JOURNAL; PROSPECTIVE STUDY; STRUCTURE ANALYSIS;

LEIS;

EID: 79958844315     PISSN: 18681743     EISSN: 18681751     Source Type: Journal    
DOI: 10.1002/minf.201000157     Document Type: Conference Paper

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