7yzh

Schistosoma Mansoni Carbonic Anhydrase in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide

spinqualitylabelsall models 7yzh, resolution 1.79Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 7yzh is a 2 chain structure with sequence from Schistosoma mansoni. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.79Å Ligands: GOL, HFF, NAG, ZN Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function A0A3Q0KSG2_SCHMA Reversible hydration of carbon dioxide.[RuleBase:RU367011] Publication Abstract from PubMed The almost empty armamentarium to treat schistosomiasis, a neglected parasitic disorder caused by trematode flatworms of the genus Schistosoma, except Praziquantel (PZQ), urged to find new alternatives to fight this infection. Carbonic Anhydrase from Schistosoma mansoni (SmCA) is a possible new target against this nematode. Here, we propose new PZQ derivatives bearing a primary sulphonamide group in order to obtain hybrid drugs. All compounds were evaluated for their inhibition profiles on both humans and Schistosoma CAs, X-ray crystal data of SmCA and hCA II in adduct with some inhibitors were obtained allowing the understanding of the main structural factors responsible of activity. The compounds showed in vitro inhibition of immature and adult S. mansoni, but further optimisation is required for improved activity. Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.,Angeli A, Ferraroni M, Carta F, Haberli C, Keiser J, Costantino G, Supuran CT J Enzyme Inhib Med Chem. 2022 Dec;37(1):1479-1494. doi: , 10.1080/14756366.2022.2078970. PMID:35635137 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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