Discovery of triazines as selective PDE4B versus PDE4D inhibitors
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Acknowledgments
This study was funded by the National Institute of Mental Health award 1R43MH091791 to M.E.G.
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2022, Journal of Molecular StructureCitation Excerpt :2-Aminothiazole is served as a viable candidate for the synthesis of many drugs for the treatment of various disorders such as hyperthyroidism, anticonvulsant agents [9–11]. 1,3,5-triazine derivatives are reported to have potent Phosphodiesterase 4 (PDE4) inhibition activity [12,13] which inhibits chronic inflammation. In recent studies the metal complexes of s-triazine derivatives are reported to be good candidate for the discovery of new anti-inflammatory agent [14].
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2020, HeliyonCitation Excerpt :Accordingly, pharmacophore-based virtual screening, molecular docking and MD simulations have been applied in this study with the objective to identify a selective PDE4B inhibitor and unravel the crucial amino acids involved in the binding interactions with the inhibitor and its stabilisation in the active site of PDE4B. Forty-three PDE4 inhibitors were selected to constitute the training set compounds based on the inhibitory activity values (IC50) of PDE4B and PDE4D from the reported literature (Supplementary Material-Table S1) (Goto et al., 2014; Hagen et al., 2014; Naganuma et al., 2009). The selected inhibitors have IC50 of PDE4B lower than that of PDE4D thus; they were used for the development of ligand-based (LB) pharmacophore model.
I<inf>2</inf>/K<inf>2</inf>S<inf>2</inf>O<inf>8</inf> Mediated Direct Oxidative Annulation of Alkylazaarenes with Amidines for the Synthesis of Substituted 1,3,5-Triazines
2020, European Journal of Organic Chemistry