Implication of sulfonylurea derivatives as prospective inhibitors of human carbonic anhydrase II

Show simple item record Idrees, Danish Hadianawala, Murtuza Mahapatra, Amarjyoti Das Datta, Bhaskar Roy, Sonam Ahamad, Shahzaib Khan, Parvez Hassan, Md. Imtiyaz 2018-05-07T12:51:11Z 2018-05-07T12:51:11Z 2018-04
dc.identifier.citation Idrees, Danish; Hadianawala, Murtuza; Mahapatra, Amarjyoti Das; Datta, Bhaskar; Roy, Sonam; Ahamad, Shahzaib; Khan, Parvez and Hassan, Md. Imtiyaz, "Implication of sulfonylurea derivatives as prospective inhibitors of human carbonic anhydrase II", International Journal of Biological Macromolecules, DOI: 10.1016/j.ijbiomac.2018.04.131, Apr. 2018 en_US
dc.identifier.isbn 1879-0003
dc.identifier.issn 0141-8130
dc.description.abstract Selective carbonic anhydrase (CA) inhibitors have gained a lot of importance owing to the implication of specific isoforms of CA in certain diseases like glaucoma, leukemia, cystic fibrosis, and epilepsy. A novel class of sulfonylurea derivatives was synthesized from corresponding sulfonyl chlorides and amines. Compounds with different pendant moieties in the sulfonylurea derivatives show significant interactions with human carbonic anhydrase II (CAII). In vitro evaluation of the sulfonylurea derivatives revealed that three compounds possess admirable inhibitory activity against CAII. Compounds containing methyl (G2), isopropyl (G4) and o-tosyl (G5) groups displayed IC50 (109-137 μm) for CAII. Fluorescence binding and cytotoxicity studies revealed that these compounds are showing good binding affinity (18-34 μM) to CAII and non- toxic to human cells. Further, molecular docking studies of G2, G4 and G5 with CAII showed that these compounds fit nicely in the active site of CAII. Molecular dynamics simulation studies of these compounds complexed with CAII showed that essential interactions were maintained up to 50 ns of simulation. These results indicate the promising nature of the sulfonylurea scaffold towards CAII inhibition and opens scope of hit to-lead optimization for discovery of effective drugs against CAII-associated disorders.
dc.description.statementofresponsibility by Danish Idrees, Murtuza Hadianawala, Amarjyoti Das Mahapatra, Bhaskar Datta, Sonam Roy, Shahzaib Ahamad, Parvez Khan and Md.Imtiyaz Hassan
dc.language.iso en en_US
dc.publisher Elsevier en_US
dc.subject Carbonic anhydrase en_US
dc.subject Sulfonyl urea derivatives en_US
dc.subject Enzyme inhibition en_US
dc.subject Structure based drug design en_US
dc.title Implication of sulfonylurea derivatives as prospective inhibitors of human carbonic anhydrase II en_US
dc.type Article en_US
dc.relation.journal International Journal of Biological Macromolecules

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