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91.
Enrico Luchinat Letizia Barbieri Matteo Cremonini Alessio Nocentini Claudiu T. Supuran Lucia Banci 《Angewandte Chemie (International ed. in English)》2020,59(16):6535-6539
Structure‐based drug development is often hampered by the lack of in vivo activity of promising compounds screened in vitro, due to low membrane permeability or poor intracellular binding selectivity. Herein, we show that ligand screening can be performed in living human cells by “intracellular protein‐observed” NMR spectroscopy, without requiring enzymatic activity measurements or other cellular assays. Quantitative binding information is obtained by fast, inexpensive 1H NMR experiments, providing intracellular dose‐ and time‐dependent ligand binding curves, from which kinetic and thermodynamic parameters linked to cell permeability and binding affinity and selectivity are obtained. The approach was applied to carbonic anhydrase and, in principle, can be extended to any NMR‐observable intracellular target. The results obtained are directly related to the potency of candidate drugs, that is, the required dose. The application of this approach at an early stage of the drug design pipeline could greatly increase the low success rate of modern drug development. 相似文献
92.
Aziz Bouymajane Yassine Oulad El Majdoub Francesco Cacciola Marina Russo Fabio Salafia Alessandra Trozzi Fouzia Rhazi Filali Paola Dugo Luigi Mondello 《Molecules (Basel, Switzerland)》2020,25(22)
Olive oil is an important product in the Mediterranean diet, due to its health benefits and sensorial characteristics. Picholine marocaine is the most cultivated variety in Morocco. The present research aims to evaluate the phenolic compounds, vitamin E and fatty acids of commercial Picholine marocaine virgin olive oils (VOOs) from five different North Moroccan provinces (Chefchaouen, Taounate, Errachidia, Beni Mellal and Taza), using HPLC-photodiode array (PDA)/electrospray ionization (ESI)-MS, normal phase (NP)-HPLC/ fluorescence detector (FLD) and GC-flame ionization detector (FID)/MS, respectively. The obtained results showed an average content of 130.0 mg kg−1 of secoiridoids (oleuropein aglycone, 10-hydroxy-oleuropein aglycone and ligstroside aglycone, oleocanthal and oleacein), 108.1 mg kg−1 of phenolic alcohols (tyrosol and hydroxytyrosol), 34.7 mg kg−1 of phenolic acids (caffeic acid, ferulic acid and elenolic acid), and 8.24 mg kg−1 of flavonoids (luteolin, luteolin glucoside, apigenin). With regard to vitamin E, α-tocopherol was the most abundant vitamin E (57.9 mg kg−1), followed by α-tocotrienol (2.5 mg kg−1), γ-tocopherol (4.5 mg kg−1) and β-tocopherol (1.9 mg kg−1), while δ-tocopherol was not detected. Moreover, 14 fatty acids were found and, among them, oleic acid (76.1%), linoleic acid (8.1%) palmitic acid (8.7%) and stearic acid (2.5%) were the major fatty acids detected. Finally, heat map and principal component analysis allowed us to classify the studied provinces in terms of VOO chemical composition: Chefchaouen (tyrosol and hydroxytyrosol), Taounate (oleuropein aglycone), Errachidia (ferulic acid, w-3 and w-6), Beni Mellal (oleocanthal) and Taza (luteolin and oleic acid). 相似文献
93.
94.
Maria Michela Salvatore Ilaria Di Lelio Marina DellaGreca Rosario Nicoletti Francesco Salvatore Elia Russo Gennaro Volpe Andrea Becchimanzi Alla Eddine Mahamedi Akila Berraf-Tebbal Anna Andolfi 《Molecules (Basel, Switzerland)》2022,27(7)
An undescribed 5,6-dihydropyran-2-one, namely diplopyrone C, was isolated and characterized from the cultures of an isolate of the fungus Diplodia corticola recovered from Quercus suber in Algeria. The structure and relative stereostructure of (5S,6S,7Z,9S,10S)-5-hydroxy-6-(2-(3-methyloxiran-2-yl)vinyl)-5,6-dihydro-2H-pyran-2-one were assigned essentially based on NMR and MS data. Furthermore, ten known compounds were isolated and identified in the same cultures. The most abundant product, the tetracyclic pimarane diterpene sphaeropsidin A, was tested for insecticidal effects against the model sucking aphid, Acyrthosiphon pisum. Results showed a toxic dose-dependent oral activity of sphaeropsidin A, with an LC50 of 9.64 mM. 相似文献
95.
We have studied ternary solutions of rodlike and random coil polymers in a common solvent. In these solutions, the rods scatter weakly, and almost all scattering comes from the coil component. From light scattering measurements, we gained information about the thermodynamic and hydrodynamic properties of the coil in rodlike polymer solutions. 相似文献
96.
Despite the existence of an extensive literature, no definitive conclusion seems to emerge on the extent to which minorities are guaranteed by democratic rules in political systems. This paper contributes to this debate by proposing a modified Heigselmann and Krauss two-dimensional model of preferences in order to capture the role of abstention on minority representativeness. Regardless of the typology of abstention, simulation results show that voter abstention always benefits minorities. 相似文献
97.
98.
Arduino A. Mangoni Tommaso Ceruti Roberta Frapolli Massimo Russo Stefania Fichera Massimo Zucchetti Sara Tommasi 《Molecules (Basel, Switzerland)》2022,27(3)
The pharmacokinetic profile of ZST316 and ZST152, arginine analogues with inhibitory activity towards human dimethylarginine dimethylaminohydrolase-1 (DDAH1), was investigated in mice using a newly developed HPLC-MS/MS method. The method proved to be reproducible, precise, and accurate for the measurement of the compounds in plasma and urine. Four-week-old female FVB mice received a single dose of ZST316 and ZST152 by intravenous bolus (30 mg/Kg) and oral gavage (60 mg/Kg). ZST316 Cmax was 67.4 µg/mL (intravenous) and 1.02 µg/mL (oral), with a half-life of 6 h and bioavailability of 4.7%. ZST152 Cmax was 24.9 µg/mL (intravenous) and 1.65 µg/mL (oral), with a half-life of 1.2 h and bioavailability of 33.3%. Urinary excretion of ZST152 and ZST316 was 12.5%–22.2% and 2.3%–7.5%, respectively. At least eight urinary metabolites were identified. After chronic intraperitoneal treatment with the more potent DDAH1 inhibitor, ZST316 (30 mg/Kg/day for three weeks), the bioavailability was 59% and no accumulation was observed. Treatment was well tolerated with no changes in body weight vs. untreated animals and no clinical signs of toxicity or distress. The results of this study show that ZST316 has a favorable pharmacokinetic profile, following intraperitoneal administration, to investigate the effects of DDAH1 inhibition in mice. 相似文献
99.
With the binucleating ligand 1-oxy-2,6-di [(N,N-biscarboxymethyl)aminomethyl]- 4-chlorobenzol (H5L) complexes of formulae FeH2L · 2H2O; FeH3L(C1O4) · H2O; Fe2L(OH) · 2H2O; M2HL · nH2O (M = Co, Cu, n = 2; M = Ni, n = 4); FeCuL · 3H2O; FeCrL(OH) · 3H2O were prepared and characterized by elemental analysis, IR and electronic spectra and magnetic moment determinations. In addition, thermal analysis data of the complexes and Mössbauer effect spectra of the iron containing complexes are also given and discussed. 相似文献
100.
P. Ammendola B. Piriou L. Lisi G. Ruoppolo R. Chirone G. Russo 《Experimental Thermal and Fluid Science》2010,34(3):269-274
A dual fixed bed laboratory scale set up has been used to compare the activity of a novel Rh/LaCoO3/Al2O3 catalyst to that of dolomite, olivine and Ni/Al2O3, typical catalysts used in fluidized bed biomass gasification, to convert tars produced during biomass devolatilization stage. The experimental apparatus allows the catalyst to be operated under controlled conditions of temperature and with a real gas mixture obtained by the pyrolysis of the biomass carried out in a separate fixed bed reactor operated under a selected and controlled heating up rate.The proposed catalyst exhibits much better performances than conventional catalysts tested. It is able to completely convert tars and also to strongly decrease coke formation due to its good redox properties. 相似文献