Global mapping of pharmacological space

By G. V. Paolini, Richard H B Shapland, W. P. Hoorn, J. Mason, A. Hopkins. 2006

770 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Molecular Biology, Pharmacology

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Citations in the corpus

Relating protein pharmacology by ligand chemistry (2007, background): “Recently, Hopkins and colleagues found that using the simplest form of chemical similarity—full chemical identity among ligands shared by two or more receptors—linkage maps can be calculated to relate targets 12 .”
The influence of drug-like concepts on decision-making in medicinal chemistry (2007, background): “Drugs and research compounds also differ in physicochemical properties between target protein classe”
Genomic-scale prioritization of drug targets: the TDR Targets database (2008, methodology): “…for the druggability of targets was derived from Pfizer’s comprehensive survey of known biological targets of drugs, leads and chemical tools 21 and from Biofocus’s StARlite database (which is scheduled to become publicly available through the European Bioinformatics Institute (EBI); see…”
In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling (2007, background): “These promise to have a strong influence in drug discovery as a means for detecting during the optimisation process potential side effects of compounds due to off-target affinities (O’Connor and Roth, 2005; Paolini et al ., 2006).”
Artificial intelligence to deep learning: machine intelligence approach for drug discovery (2021, background): “Repositioning drugs might be successful due to the possibility of multiple-target involvement in multiple diseases [267–269].”
Data Fusion by Matrix Factorization (2013, background): “Identification of the mechanisms of action of chemical compounds is a crucial task in drug discovery [63], [64].”
Structure-based Systems Biology for Analyzing Off-target Binding (2011, background): “Recent work on large-scale mapping of polypharmacology interactions by Paolini et al. revealed the extent of drug promiscuity in proteome-wide binding [13].”
The Connectivity Map: a new tool for biomedical research (2007, background): “Indeed, a recent global analysis of conventional screening data for nearly five million nonredundant structures collected over 25 years in both industry and academia found that the total number of human proteins for which chemical tools have been discovered so far is just 836 (Ref”
Building a 3D Integrated Cell (2017, background): “Given suﬃcient information, it would be possible to encode a representation of a “structure space” to predict the localization of unobserved structures, or “perturbation space”, as in (Paolini et al., 2006).”