303759-26-4Relevant academic research and scientific papers
Ligand role on insulin-mimetic properties of vanadium complexes. Structural and biological studies
G?uch-Lutwin, Monika,Hodorowicz, Maciej,Jurowska, Anna,Kazek, Grzegorz,Sapa, Jacek,Szklarzewicz, Janusz
, (2021)
The syntheses of 16 vanadium(IV and V) complexes with ONO tridentate Schiff base ligands are described. The vanadium(IV) compounds were synthesized with 1,10-phenantroline as a co-ligand. In the case of five complexes of vanadium(V), the solvent molecule
Identification of PDZ ligands by docking-based virtual screening for the development of novel analgesic agents
Bouzidi, Naoual,Deokar, Hemantkumar,Vogrig, Alexandre,Boucherle, Benjamin,Ripoche, Isabelle,Abrunhosa-Thomas, Isabelle,Dorr, Liam,Wattiez, Anne-Sophie,Lian, Lu-Yun,Marin, Philippe,Courteix, Christine,Ducki, Sylvie
supporting information, p. 2624 - 2627 (2013/06/27)
Disrupting the interaction between the PDZ protein, PSD-95, and its target ligands (such as the glutamate NMDA receptor or the serotonin 5-HT2A receptor) was found to reduce hyperalgesia in various models of neuropathic pain. Here, we set out to identify lead molecules which would interact with PSD-95, and hence, would potentially display analgesic activity. We describe the virtual screening of the Asinex and Cambridge databases which together contain almost one million molecules. Using three successive docking filters and visual inspection, we identified three structural classes of molecules and synthesized a potential lead compound from each class. The binding of the molecules with the PDZ domains of PSD-95 was assessed by 1H-15N HSQC NMR experiments. The analgesic activity of the best ligand, quinoline 2, was evaluated in vivo in a model of neuropathic pain and showed promising results.
