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1.
An efficient and feasible synthetic approach was developed for the synthesis of an array of new flavane derivafives from the substituted benzaldehyde with the reduction of chalcones and subsequent cyclization as the key steps. The purity and structure of the products were confirmed by the elemental analysis and a combination of its IR, ^1H and ^13C NMR, and mass spectra. These synthetic compounds were tested for xanthine oxidase (XO) inhibitions and antifungal actions against Candida albicans, Cryptococcus neoformans, Aspergillus sp. and Trichophyton rubrum. 7-Hydrazinocarbonylmethoxy-4'-methoxyflavane (9) was found to be the most XO inhibitory with IC50=76.4 μmol/L, and the most potent antifungal compound was 4'-hydrazinocarbonylmethoxyflavane (12) with minimal inhibition concentration MIC=8 μg/mL against Trichophyton rubrum. 相似文献
2.
Four 9H and four 7H tautomers of DNA base xanthine were studied by the ab initio LCAO-MO method at the MP2/6-311G**//HF/6-31G** and MP2/6-31G**//HF/6-31G** approximations. All calculated structures are minima at the HF/6-31G** potential energy surface with the dioxo 7H tautomer (A1) being the global minimum. The second most stable tautomer, dioxo-9H (B1) is by 9 kcal/mol less stable. For the A1 B1 transition the calculated MP2 energy gap corresponds to the equilibrium constant of 2 × 10–7. Therefore, only the major tautomeric form A1 is predicted to be detectable in the gas phase. The 7H and 9H groups of tautomers are discussed separately. Within both groups, the dioxo form (A1-7H, B1-9H) is the most stable one and is succeeded by the 2-dihydroxy (A2, B2) form. However, while the energy difference between A1 and A2 is 10 kcal/mol, the energy difference between B1 a B2 is only 2 kcal/mol. The effect of polar environment was estimated by the SCRF method, using a spherical cavity, at the HF/6-31G** level. These calculations did not change the gas phase stability order of the tautomers. However, the energy difference between A1 and B1 decreased from 9 kcal/mol at the HF/6-31G** level to 4 kcal/mol at the SCRF HF/6-31G** level. 相似文献
3.
Hua-zhou Niu Chun-ming Liu Wan-chao Hou Sai-nan Li Yu-chi Zhang Zhen Liu Hao-cheng Yun 《Journal of separation science》2022,45(2):492-506
Black bean, in which isoflavones are the main active constituent, also contains saponins and monoterpenes. Soybean isoflavone is a secondary metabolite that is formed during the growth of soybean; it exhibits antioxidant and cardiovascular activities and traces estrogen-like effects. In this study, black bean isoflavones were extracted with n-butanol, and ultrafiltration–liquid chromatography–mass spectrometry was used to screen their activity. Subsequently, the inhibitors were isolated and purified using semipreparative liquid chromatography and stepwise flow rate countercurrent chromatography. Thereafter, five active compounds were identified using mass spectrometry and nuclear magnetic resonance experiments. Finally, the inhibition types of the xanthine oxidase inhibitors were determined using enzymatic kinetic studies. The IC50 values of daidzin, glycitein-7-O-glucoside, genistin, daidzein, and genistein were determined to be 35.08, 56.22, 30.76, 68.79, and 95.37 μg/mL, respectively. Daidzin, genistin, and daidzein exhibited reversible inhibition, whereas glycitein-7-O-glucoside and genistein presented irreversible inhibition. This novel approach, which was based on ultrafiltration–liquid chromatography–mass spectrometry and stepwise flow rate countercurrent chromatography, is a powerful method for screening and isolating xanthine oxidase inhibitors from complex matrices. The study of enzyme inhibition types is helpful for understanding the underlying inhibition mechanism. Therefore, a beneficial platform was developed for the large-scale production of bioactive and nutraceutical ingredients. 相似文献
4.
UV photoelectron spectra of hypoxanthine, xanthine, and caffeine, up to 20 eV, were calculated and compared with the experimental spectra reported in literature. The calculations were performed using a novel version of the quantum mechanical symmetry-adapted cluster/configuration interaction (SAC-CI) method termed, direct SAC-CI. The Duning/Huzinaga valance double-zeta D95+(d,p) Gaussian basis set was also employed with this method. The ionization energies and intensities were calculated, and the corresponding spectral bands were assigned. Natural bonding orbital (NBO) calculations were employed for better spectral band assignment. The calculated ionization energies and intensities reasonably produced the experimental photoelectron spectra. 相似文献
5.
6.
Dhiraj Kumar Choudhary 《Natural product research》2019,33(18):2689-2693
Acetone extract of faba bean (Vicia faba L.) was found to be highest total phenol and flavonoid content among all extracts. Antioxidant activity for inhibition percentage (free radical scavenging activity) had 86.47% for acetone extract, and 97.36% for ascorbic acid respectively. IC50 value of ascorbic acid and acetone extact were found to be 9 μg/mL ± 0.20 and 30 μg/mL ± 0.21. Faba bean seeds had catechin, epicatechin, gallic acid and ellagic acid which on molecular docking study revealed that it binds effectively with xanthine oxidase by binding energy of –7.78, –6.11, –6.39, –5.78 kcal/mol respectively compared to allopurinol drug having binding energy of –4.94 kcal/mol. Gallic acid, ellagic acid, catechin, epicatechin (polyphenols) and allopurinol bind other than catalytic residues (Glu-1261) of xanthine oxidase. In vitro and in silico analysis recommended that mode of enzyme inhibition was mixed type. 相似文献
7.
《Analytical letters》2012,45(3):456-468
Abstract The preparation and performance of hypoxanthine (Hx) electrochemical biosensor, which was based on iron (III) meso‐tetraphenylporphyrin (FeTPP) nanoparticles (NPs), is reported in this work. FeTPP NPs prepared by mixing solvent techniques with diameters ca. 25~45 nm and were used as a mediator. The XOD/FeTPPNP/GC electrode exhibited good amperometric signal for Hx. Based on the consumption of dissolved oxygen during the oxidation process of Hx catalyzed by the immobilized XOD, the biosensor could detect the concentration of Hx up to 0.34 mM with a detection limit of 1.0 µM. The usefulness of this biosensor for the analysis of real sample was also demonstrated by determining Hx in rat brain dialysate coupled with microdialysis. 相似文献
8.
《Analytical letters》2012,45(7):641-652
Abstract A rapid electrochemical (chronoamperometric) method for the determination of xanthine oxidase catalyzed oxidation of xanthine and hypoxanthine is described. The assay is based on the anodic oxidation of the product, uric acid, at a stationary carbon paste electrode. Metabolism was monitored as reaction proceeded by direct insertion of a three-electrode assembly into incubation mixtures, applying a potential and measuring current after a 7 sec controlled electrolysis. The method requires no sample preparation, nor utilization of external reagents, and is compared with the on-line spectrophotonetric analysis based on monitoring the appearance of uric acid detected as an increase in absorbance at 290 nm. 相似文献
9.
Mohammad Amin Mir 《Journal of Dispersion Science and Technology》2018,39(8):1121-1125
Spectrophotometry is employed to study the effect cetyltrimethylammonium bromide (CTAB) and bis(cetyldimethylammonium)butane dibromide (C16C4C16Br2) on the activity of xanthine oxidase (XO), a key enzyme in purine metabolism, at pH 7.4 and 25°C. The spectrophotometric results revealed that the Gemini surfactant interact strongly with the XO than its conventional single chain counterpart and unfold it to a greater extent as compared to CTAB. The effectiveness of the Gemini in interacting/unfolding the XO are justified owing to peculiar structural features of C16C4C16Br2 owing to the presence of two charged headgroups and two hydrophobic tails and hence enhanced competence for electrostatic and hydrophobic interactions. 相似文献
10.
L. A. Trukhacheva V. I. Levina N. B. Grigor’ev A. P. Arzamastsev I. L. Dalinger I. A. Vatsadze G. P. Popova S. A. Shevelev V. G. Granik 《Russian Chemical Bulletin》2005,54(12):2813-2819
Alkaline hydrolysis of mono-and dinitro derivatives of five-membered heterocycles, viz., pyrazole, imidazole, 1,2,4-triazole, and isoxazole, is accompanied by the elimination of the nitro group in the form of
a nitrite anion. The hydrolysis kinetics was studied by the polarographic and photometric methods. The experimentally determined
hydrolysis rate constants depend on the nature of the heterocycle. A possible mechanism for hydrolytic transformations of
the compounds under study was proposed on the basis of the calculated thermodynamic parameters of the reaction (Δ G
≠, ΔH
≠, ΔS
≠).
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 12, pp. 2719–2725, December, 2005. 相似文献