“…The aromatic ring of pyrimidine forms arene-cation interaction with Arg439, also at the entrance of binding pocket. The best result obtained for compound 116 ( Scheme 41 ) among the other compounds was explained by the presence of 3 typical hydrogen bonds with His409, KCX490 and Asp633, in addition to the formation of hydrogen bonds with active site flap CME592 [113] . Scheme 41 Chemical structures of urease inhibitors based on dihydropyrimidines.…”
Section: Organic Substances As Urease Inhibitorsmentioning
confidence: 99%
“…Recently, Iftikhar et al reported progress in their fruitful research on dihydropyrimidine (DHPM) by screening 15 new 5-C-substituted ( Scheme 41 ) analogues for their urease inhibition potential [113] . The SAR studies based on urease inhibition assays showed that thiosemicarbazides and isatin derivatives were more potent inhibitors.…”
Section: Organic Substances As Urease Inhibitorsmentioning
“…The aromatic ring of pyrimidine forms arene-cation interaction with Arg439, also at the entrance of binding pocket. The best result obtained for compound 116 ( Scheme 41 ) among the other compounds was explained by the presence of 3 typical hydrogen bonds with His409, KCX490 and Asp633, in addition to the formation of hydrogen bonds with active site flap CME592 [113] . Scheme 41 Chemical structures of urease inhibitors based on dihydropyrimidines.…”
Section: Organic Substances As Urease Inhibitorsmentioning
confidence: 99%
“…Recently, Iftikhar et al reported progress in their fruitful research on dihydropyrimidine (DHPM) by screening 15 new 5-C-substituted ( Scheme 41 ) analogues for their urease inhibition potential [113] . The SAR studies based on urease inhibition assays showed that thiosemicarbazides and isatin derivatives were more potent inhibitors.…”
Section: Organic Substances As Urease Inhibitorsmentioning
“…Other Schiff bases have also been recognized as potential urease inhibitors. For instance, Iftikhar [32] and co-workers (2017) described dihydropyrimidine (DHPM) 28 as the most potent jack bean urease inhibitor (IC 50 = 0.23 µM) [32] . Rahim and co-workers showed that bis -Schiff bases 29 , 30 and 31 ( Fig.…”
Section: Schiff Base As Urease Inhibitorsmentioning
“…Urease in plants and microbes is characterized by being a nickel-based enzyme, and the amino acid sequences and active-site architecture of plant urease are similar to that of bacterial urease [1]. Furthermore, urease is regarded as being one of the most vital enzymes in supplying nitrogen for the metabolism in living organisms, being used to catalyze the transformation of urea to carbon dioxide and ammonia [2][3][4][5].…”
Phthalic acid esters (PAEs), including dimethyl phthalate (DMP) and dibutyl phthalate (DBP), were widely known by their potential biological toxicity. In this work, the interaction between PAEs and urease was studied by the resonance light scattering spectrum (RLS), average particle size, molecular docking, molecular dynamics simulation, enzyme activity assay and reaction kinetic experiment. Both DMP and DBP could form stable complexes with urease, and enhance the rigidity and stability of urease. The RLS and average particle size of urease were decreased by DMP and DBP. Moreover, the activation mechanism was non-competitive activation mechanism because K m of urease kept the same and V max were increased. It could be concluded that PAEs altered the molecular conformation of urease and increased the urease activity by the non-competitive activation mechanism.
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