Pharmacophore-Aided Virtual Screening and Molecular Dynamics Simulation Identifies TrkB Agonists for Treatment of CDKL5-Deficiency Disorders

Therapeutic intervention in cyclin-dependent kinase-like 5 (CDKL5) deficiency disorders (CDDs) has remained a concern over the years. Recent advances into the mechanistic interplay of signalling pathways has revealed the role of deficient tropomyosin receptor kinase B (TrkB)/phospholipase C γ1 signa...

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Veröffentlicht in:	Bioinformatics and biology insights 2023-01, Vol.17, p.11779322231158254
Hauptverfasser:	Ademuwagun, Ibitayo Abigail, Oduselu, Gbolahan Oladipupo, Rotimi, Solomon Oladapo, Adebiyi, Ezekiel
Format:	Artikel
Sprache:	eng
Schlagworte:	Agonists Combinatorial analysis Cyclin-dependent kinase Cyclin-dependent kinases Deficiency diseases Disorders Drugs Kinases Ligands Molecular dynamics Original Pharmacokinetics Phospholipase C Screening Signal transduction TrkB receptors Tropomyosin
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