Huber, Vincent J. published the artcileIdentification of Aquaporin 4 inhibitors using in vitro and in silico methods, Formula: C8H6N4OS, the publication is Bioorganic & Medicinal Chemistry (2009), 17(1), 411-417, database is CAplus and MEDLINE.
The in vitro inhibitory effects and in silico docking energies of 18 compounds with respect to Aquaporin 4 (AQP4) were investigated. More than half of the compounds tested showed inhibitory activity in the in vitro functional assay and included the 5-HT1B/1D agonists sumatriptan, and rizatriptan. Moreover, the observed inhibitory activity of the compounds used in this study at 20 μM showed a strong correlation with their in silico docking energies, r 2 = 0.64, which was consistent with that found in previous studies. The AQP4 inhibitory IC50 values of three compounds, 2-(nicotinamido)-1,3,4-thiadiazole, sumatriptan and rizatriptan, were subsequently found to be 3, 11, and 2 μM, resp.
Bioorganic & Medicinal Chemistry published new progress about 51987-99-6. 51987-99-6 belongs to amides-buliding-blocks, auxiliary class Pyridine,Thiadiazole,Amine,Amide,Inhibitor, name is N-(1,3,4-Thiadiazol-2-yl)nicotinamide, and the molecular formula is C8H6N4OS, Formula: C8H6N4OS.
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