Small Molecules as Toll-like Receptor 4 Modulators Drug and In-House Computational Repurposing.
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ABSTRACT:
SUBMITTER: Perez-Regidor L
PROVIDER: S-EPMC9496124 | biostudies-literature | 2022 Sep
REPOSITORIES: biostudies-literature
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Small Molecules as Toll-like Receptor 4 Modulators Drug and <i>In-House</i> Computational Repurposing.
Pérez-Regidor Lucía L Guzmán-Caldentey Joan J Oberhauser Nils N Punzón Carmen C Balogh Balázs B Pedro José R JR Falomir Eva E Nurisso Alessandra A Mátyus Péter P Menéndez J Carlos JC de Andrés Belén B Fresno Manuel M Martín-Santamaría Sonsoles S
Biomedicines 20220919 9
The innate immunity toll-like receptor 4 (TLR4) system is a receptor of paramount importance as a therapeutic target. Virtual screening following a "computer-aided drug repurposing" approach was applied to the discovery of novel TLR4 modulators with a non-lipopolysaccharide-like structure. We screened almost 29,000 approved drugs and drug-like molecules from commercial, public, and <i>in-house</i> academia chemical libraries and, after biological assays, identified several compounds with TLR4 an ...[more]
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