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1.
J Taibah Univ Med Sci ; 18(6): 1557-1566, 2023 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-37693822

RESUMO

Objective: The main purpose of the present work was to determine the chemical composition, safety, and antioxidant and antihyperlipidemic activities of an aqueous extract of Teucrium takoumitense. Methods: Phytochemical analysis (total phenolic, total flavonoid, and total hydroxycinnamic acid contents), antioxidant activity (ferric-reducing antioxidant power, 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid, 2,2-diphenyl-1-picrylhydrazil, and total antioxidant capacity tests), acute toxicity, and antihyperlipidemic activity were evaluated according to established models. In addition, the phytochemical profile was determined by methylation followed by gas chromatography-mass spectrometry (GC/MS). Results: The aqueous extract of T. takoumitense had a high content of total polyphenols (87.01 ± 0.31 mg gallic acid equivalent (GAE)/g extract) and hydroxycinnamic acid (2.28 ± 0.1 g/100 g Powdered Material) and a low content of total flavonoids (2.99 ± 0.16 mg GAE/g extract). In addition, the extract demonstrated remarkable antioxidant activity (DPPH IC50 = 76.67 ± 0.56 µg/mL, ABTS IC50 = 89.65 ± 0.27 µg/mL, FRAP EC50 = 296.32 ± 0.86 µg/mL, TAC value = 43 ± 0.27 mg EAA/g extract). The main compounds were identified as benzene, (hexyloxy)- (19.32%), 2,6a-methano-6aH-indeno[4,5-b]oxirene, octahedro-(1a.alpha., 2.beta., 3a.alpha., 6a.beta., 6b.alpha.)- (32.42%), d-fucose (5.47%), 5-hydroxymethylfurfural (5.47%) and guaiacol (3.19%). The LD50 was estimated to be between 500 and 2000 mg/kg. Furthermore, at 500 and 250 mg/kg, the aqueous extract of T. takoumitense exhibited good antihyperlipidemic activity in vivo. Conclusion: T. takoumitense extract has significant pharmacological potential and a varied chemical composition.

2.
Molecules ; 28(2)2023 Jan 09.
Artigo em Inglês | MEDLINE | ID: mdl-36677736

RESUMO

In this work, a novel series of pyridazinone derivatives (3-17) were synthesized and characterized by NMR (1H and 13C), FT-IR spectroscopies, and ESI-MS methods. All synthesized compounds were screened for their antibacterial activities against Staphylococcus aureus (Methicillin-resistant), Escherichia coli, Salmonella typhimurium, Pseudomonas aeruginosa, and Acinetobacter baumannii. Among the series, compounds 7 and 13 were found to be active against S. aureus (MRSA), P. aeruginosa, and A. baumannii with the lowest MIC value range of 3.74-8.92 µM. Afterwards, DFT calculations of B3LYP/6-31++G(d,p) level were carried out to investigate geometry structures, frontier molecular orbital, molecular electrostatic potential maps, and gap energies of the synthesized compounds. In addition, the activities of these compounds against various bacterial proteins were compared with molecular-docking calculations. Finally, ADMET studies were performed to investigate the possibility of using of the target compounds as drugs.


Assuntos
Escherichia coli , Staphylococcus aureus , Espectroscopia de Infravermelho com Transformada de Fourier , Simulação de Acoplamento Molecular , Antibacterianos/química , Testes de Sensibilidade Microbiana
3.
Inorg Chem ; 44(11): 3789-98, 2005 May 30.
Artigo em Inglês | MEDLINE | ID: mdl-15907103

RESUMO

The electrochemistry of 16 different water-soluble porphyrins of the type [(TMpyP)M(II)]4+ (X-)4 or [(TMpyP)M(III)Cl]4+ (Cl-)4 is reported in nonaqueous media where TMpyP is the dianion of meso-tetrakis(N-methylpyridiniumyl)porphyrin and X- = Cl- or BPh4-. These studies were carried out to examine the effect of the metal ion and porphyrin counterion (X-) on the electrochemical properties of the TMpyP complexes with a special emphasis being given to the overall number of electrons added and the number of electrode processes upon reduction. All of the investigated compounds with electroinactive central metal ions undergo an overall addition of six electrons. This occurs for most compounds via three two-electron-transfer steps, but more than three processes are observed for porphyrins having metal ions with a low electronegativity (e.g., Cd(II)). The first reduction of each porphyrin having an M(II) ion or an electroinactive M(III) ion yields a porphyrin dianion which is characterized by an intense band located close to 800 nm, and this reversible reduction is followed by further reductions of the 1-methyl-4-pyridyl groups at more negative potentials. Four of the compounds with electroactive central metal ions, [(TMpyP)M(III)Cl]4+(Cl-)4 (M = Co, Fe, Mn, or Au), undergo an additional reversible M(III)/M(II) process prior to reactions involving the porphyrin pi-ring system and the 1-methyl-4-pyridyl substituents.

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