2013
DOI: 10.1016/j.freeradbiomed.2013.10.712
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Potent Reversible Inhibition of Myeloperoxidase by Aromatic Hydroxamates

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Cited by 11 publications
(22 citation statements)
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“…First, the molecular docking calculations were validated using caffeic acid, gallic acid, quercetin, salicylhydroxamic acid (SHA) and 2‐(3,5‐bistrifluoromethylbenzylamino)‐6‐oxo‐1H‐pyrimidine‐5‐carbohydroxamic acid (HX1; a non‐covalent MPO inhibitor; PDB ID 4C1M) . Next, the docking calculations were performed with the following ligands: caffeic acid, trans ‐cinnamic acid, p ‐coumaric acid, ferulic acid, SHA and 4‐aminobenzoic acid hydrazide (ABAH), using the AutoDock Vina software with an exhaustiveness value of 1000.…”
Section: Methodsmentioning
confidence: 99%
See 1 more Smart Citation
“…First, the molecular docking calculations were validated using caffeic acid, gallic acid, quercetin, salicylhydroxamic acid (SHA) and 2‐(3,5‐bistrifluoromethylbenzylamino)‐6‐oxo‐1H‐pyrimidine‐5‐carbohydroxamic acid (HX1; a non‐covalent MPO inhibitor; PDB ID 4C1M) . Next, the docking calculations were performed with the following ligands: caffeic acid, trans ‐cinnamic acid, p ‐coumaric acid, ferulic acid, SHA and 4‐aminobenzoic acid hydrazide (ABAH), using the AutoDock Vina software with an exhaustiveness value of 1000.…”
Section: Methodsmentioning
confidence: 99%
“…Eight 2.40‐GHz Intel processor cores were used for the simulations. The search volume corresponded to one heterodimer composed of a heavy and a light chain of the human MPO structure complexed with HX1 . The crystallographic waters inside the active site and HX1 were removed before the docking calculations.…”
Section: Methodsmentioning
confidence: 99%
“…Substrates gain access to the proximal surface of the cavern, wherein the heme prosthetic group acts as floor of the MPO active site. A narrower substrate-binding chase leads from the enzyme and can be seen in the MPO isoform C structure (see PDB accession number 1LXP), MPO cocrystallized with cyanide and thiocyanate (1DNW), the complex of MPO with cyanide (1DNU), the thioxanthine-inhibited MPO (3ZS1), the ceruloplasmin-bound MPO (4EJX), and the MPO with aromatic hydroxamates (4C1M) [32][33][34][35][36][37][38]. As mentioned, the protoporphyrin IX macrocycle of MPO has 3 covalent bonds with the parent protein as shown in Fig.…”
Section: What Sets Mpo Apart From Other Peroxidases?mentioning
confidence: 99%
“…In all the cases, rhizome oil exhibited more potential than the leaf oil (p < 0.05). Suggestive evidences on 1,8-cineole-and monoterpene-rich EOs on reducing airway inflammation, MPO activity, and decreased cytokine levels portrait the importance and efficacy of this topical study for therapeutic development [65]. Held et al [28] have studied the oral anti-inflammatory effect of 1,8-cineole in various animal models, but the mechanism by which it exerts the activity was not clear.…”
Section: Inhibition Of Heat-induced Hemolysis By Aceosmentioning
confidence: 99%