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A DFT-based study of the hydrogen-bonding interactions between myricetin and ethanol/water.
Zheng YZ, Deng G, Guo R, Chen DF, Wu LM. Zheng YZ, et al. J Mol Model. 2019 Feb 14;25(3):67. doi: 10.1007/s00894-019-3940-8. J Mol Model. 2019. PMID: 30762117
Flavonoids are vital constituents of propolis that are responsible for its medicinal activity. ...The most stable structures were found to be those with hydrogen bonds involving the hydrogen atoms of hydroxyl groups and the oxygen atom of the keto group of myricetin …
Flavonoids are vital constituents of propolis that are responsible for its medicinal activity. ...The most stable structures were fou …
S-nitroso-glutathione (GSNO) inhibits hydrogen peroxide production by alpha-ketoglutarate dehydrogenase: An investigation into sex and diet effects.
Wang K, Moore A, Grayson C, Mailloux RJ. Wang K, et al. Free Radic Biol Med. 2023 Aug 1;204:287-300. doi: 10.1016/j.freeradbiomed.2023.05.010. Epub 2023 May 22. Free Radic Biol Med. 2023. PMID: 37225107
Pyruvate dehydrogenase (PDH) and alpha-ketoglutarate dehydrogenase (KGDH) are vital sources of hydrogen peroxide (H(2)O(2)) and key sites for redox regulation. ...Collectively, we show for the first time GSNO deactivates H(2)O(2) production by alpha-keto acid dehydr …
Pyruvate dehydrogenase (PDH) and alpha-ketoglutarate dehydrogenase (KGDH) are vital sources of hydrogen peroxide (H(2)O(2)) and key s …
Potential prognostic markers of retained placenta in dairy cows identified by plasma metabolomics coupled with clinical laboratory indicators.
Li Y, Wen H, Yang Y, Zhao Z, Gao H, Li H, Huang M. Li Y, et al. Vet Q. 2022 Dec;42(1):199-212. doi: 10.1080/01652176.2022.2145619. Vet Q. 2022. PMID: 36369933 Free PMC article.
Compared with cows with RP at 7 days before parturition, the levels of endothelin and 6-keto-prostaglandin F1alpha were increased in healthy cows, while the level of estradiol and progesterone decreased. ...The best period for the early-warning diagnosis of RP in dairy cow …
Compared with cows with RP at 7 days before parturition, the levels of endothelin and 6-keto-prostaglandin F1alpha were increased in …
Theoretical study on the chemical mechanism of enoyl-CoA hydratase and the form of inhibitor binding.
Cui X, He R, Yang Q, Shen W, Li M. Cui X, et al. J Mol Model. 2014 Sep;20(9):2411. doi: 10.1007/s00894-014-2411-5. Epub 2014 Sep 2. J Mol Model. 2014. PMID: 25174944
Caomparison of the calculated energy barriers showed that binding of the keto-enol form of the inhibitor is more reasonable than that of the di-keto form in the inhibition process. Moreover, acetoacetyl-CoA was found to exhibit a keto-enol tautomerism when it …
Caomparison of the calculated energy barriers showed that binding of the keto-enol form of the inhibitor is more reasonable than that …
Evaluation of the antithrombotic activity of Zhi-Xiong Capsules, a Traditional Chinese Medicinal formula, via the pathway of anti-coagulation, anti-platelet activation and anti-fibrinolysis.
Zhou J, Song Z, Han M, Yu B, Lv G, Han N, Liu Z, Yin J. Zhou J, et al. Biomed Pharmacother. 2018 Jan;97:1622-1631. doi: 10.1016/j.biopha.2017.11.135. Epub 2017 Dec 1. Biomed Pharmacother. 2018. PMID: 29793324

Furthermore, it markedly suppressed the level of TXB(2) and up-regulated the level of 6-keto-PGF(1a). In addition, it significantly up-regulated the level of t-PA and down-regulated the level of PAI-1 (p < 0.05). These results revealed that ZXC played a vital rol

Furthermore, it markedly suppressed the level of TXB(2) and up-regulated the level of 6-keto-PGF(1a). In addition, it significantly u …
Synthesis of new carboxylesterase inhibitors and evaluation of potency and water solubility.
Wheelock CE, Severson TF, Hammock BD. Wheelock CE, et al. Chem Res Toxicol. 2001 Dec;14(12):1563-72. doi: 10.1021/tx015508+. Chem Res Toxicol. 2001. PMID: 11743738
Carboxylesterases are essential enzymes in the hydrolysis and detoxification of numerous pharmaceuticals and pesticides. They are vital in mediating organophosphate toxicity and in activating many prodrugs such as the chemotherapeutic agent CPT-11. ...In this study, we hav …
Carboxylesterases are essential enzymes in the hydrolysis and detoxification of numerous pharmaceuticals and pesticides. They are vital
Novel HIV integrase inhibitors with anti-HIV activity: insights into integrase inhibition from docking studies.
Cox AG, Nair V. Cox AG, et al. Antivir Chem Chemother. 2006;17(6):343-53. doi: 10.1177/095632020601700604. Antivir Chem Chemother. 2006. PMID: 17249248 Free article.
The results suggest that the aromatic rings in these diketo acids bind to regions close to the viral DNA and may interfere with mobility of a vital catalytic loop. The docking data also suggest that the ligand can be prevented from adopting a favourable conformation by cha …
The results suggest that the aromatic rings in these diketo acids bind to regions close to the viral DNA and may interfere with mobility of …
Pharmacokinetic and pharmacodynamic properties of FK070 (KDI-792), a novel thromboxane receptor antagonist/thromboxane synthetase inhibitor, after single and multiple oral administrations to healthy volunteers.
Uematsu T, Kosuge K, Umemura K, Nakano M, Terakawa M, Nakashima M. Uematsu T, et al. J Pharm Pharmacol. 1996 Apr;48(4):380-5. doi: 10.1111/j.2042-7158.1996.tb05937.x. J Pharm Pharmacol. 1996. PMID: 8794987 Clinical Trial.
FK070 also inhibited TXA2 synthetase as evidenced by decreased production of TXB2 and reciprocally increased production of 6-keto-prostaglandin F1 alpha in the serum during ex-vivo whole blood coagulation. ...No clearly drug-related changes were found in routine laboratory …
FK070 also inhibited TXA2 synthetase as evidenced by decreased production of TXB2 and reciprocally increased production of 6-keto-pro …
Evaluation of solvent accessibility epitopes for different dehydrogenase inhibitors.
Ludwig C, Michiels PJ, Lodi A, Ride J, Bunce C, Günther UL. Ludwig C, et al. ChemMedChem. 2008 Sep;3(9):1371-6. doi: 10.1002/cmdc.200800110. ChemMedChem. 2008. PMID: 18576452
Knowledge about the orientation of ligands or inhibitors bound to a protein is vital for the development of new drugs. It was recently shown that solvent accessibility epitopes for protein ligands can be mapped by transferring magnetization from water molecules to the liga …
Knowledge about the orientation of ligands or inhibitors bound to a protein is vital for the development of new drugs. It was recentl …