Virtual Screening Approaches towards the Discovery of Toll-Like Receptor Modulators.
This review aims to summarize the latest efforts performed in the search for novel chemical entities such as Toll-like receptor (TLR) modulators by means of virtual screening techniques. This is an emergent research field with only very recent (and successful) contributions. Identification of drug-like molecules with potential therapeutic applications for the treatment of a variety of TLR-regulated diseases has attracted considerable interest due to the clinical potential. Additionally, the virtual screening databases and computational tools employed have been overviewed in a descriptive way, widening the scope for researchers interested in the field.
Department of Chemical & Physical Biology, Centro de Investigaciones Biológicas, CIB-CSIC, C/Ramiro de Maeztu, 9, 28040 Madrid, Spain. lucia.perez.regidor@cib.csic.es.
Lucía
L
Pérez-Regidor
Department of Chemical & Physical Biology, Centro de Investigaciones Biológicas, CIB-CSIC, C/Ramiro de Maeztu, 9, 28040 Madrid, Spain. m.zarioh17@gmail.com.
Malik
M
Zarioh
Department of Chemical & Physical Biology, Centro de Investigaciones Biológicas, CIB-CSIC, C/Ramiro de Maeztu, 9, 28040 Madrid, Spain. l.ortegavarga@gmail.com.
Laura
L
Ortega
Department of Chemical & Physical Biology, Centro de Investigaciones Biológicas, CIB-CSIC, C/Ramiro de Maeztu, 9, 28040 Madrid, Spain. smsantamaria@cib.csic.es.
Sonsoles
S
Martín-Santamaría
D019295:Computational Biology; D003198:Computer Simulation; D062126:Databases, Chemical; D055808:Drug Discovery / Q000379:methods*; D006801:Humans; D054852:Small Molecule Libraries / Q000494:pharmacology*; D051193:Toll-Like Receptors / Q000037:antagonists & inhibitors*
D054852:Small Molecule Libraries; D051193:Toll-Like Receptors
TLR modulators; Toll-like receptor; computational approaches; drug discovery; virtual screening