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1.
Molecules ; 27(4)2022 Feb 21.
Artigo em Inglês | MEDLINE | ID: mdl-35209226

RESUMO

Researchers are interested in Schiff bases and their metal complexes because they offer a wide range of applications. The chemistry of Schiff bases of heterocompounds has got a lot of attention because of the metal's ability to coordinate with Schiff base ligands. In the current study, a new bidentate Schiff base ligand, N-((1H-pyrrol-2-yl)methylene)-6-methoxypyridin-3-amine (MPM) has been synthesized by condensing 6-methoxypyridine-3-amine with pyrrole-2-carbaldehyde. Further, MPM is used to prepare Cu(II) and Co(II) metal complexes. Analytical and spectroscopic techniques are used for the structural elucidation of the synthesized compounds. Both MPM and its metal complexes were screened against Escherichia coli, Bacillus subtilis, Staphylococcus aureus and Klebsiella pneumoniae species for antimicrobial studies. Furthermore, these compounds were subjected to in silico studies against bacterial proteins to comprehend their best non-bonded interactions. The results confirmed that the Schiff base ligand show considerably higher binding affinity with good hydrogen bonding and hydrophobic interactions against various tested microbial species. These results were complemented with a report of the Conceptual DFT global reactivity descriptors of the studied compounds together with their biological scores and their ADMET computed parameters.


Assuntos
Anti-Infecciosos/química , Anti-Infecciosos/farmacologia , Cobalto/química , Complexos de Coordenação/química , Complexos de Coordenação/farmacologia , Cobre/química , Antibacterianos/química , Antibacterianos/farmacologia , Anti-Infecciosos/síntese química , Técnicas de Química Sintética , Complexos de Coordenação/síntese química , Teoria da Densidade Funcional , Relação Dose-Resposta a Droga , Testes de Sensibilidade Microbiana , Modelos Químicos , Modelos Moleculares , Estrutura Molecular , Bases de Schiff/química , Análise Espectral
2.
Arch Pharm (Weinheim) ; 347(4): 247-55, 2014 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-24343903

RESUMO

Xanthine oxidase (XO) is a complex metalloflavoprotein, the overproduction of which usually leads to a pathological condition called gout. The XO inhibitors may prove to be promising antigout agents. The XO generates superoxide anions and H2O2 for the self-defense system of the organism. Abnormal production of this superoxide (reactive oxygen species) is responsible for a number of complications including inflammation, metabolic disorder, cellular aging, reperfusion damage, atherosclerosis, and carcinogenesis. In this paper, we report the synthesis of N-substituted analogs of thiazolidinedione derivatives as effective and new class of XO inhibitors and also as antioxidant agents. Among all the compounds in the series, compound 2i produced relatively better activity against human milk XO (72% inhibition), which was also supported by docking studies.


Assuntos
Antioxidantes/farmacologia , Tiazolidinedionas/farmacologia , Xantina Oxidase/antagonistas & inibidores , Animais , Antioxidantes/síntese química , Antioxidantes/química , Inibidores Enzimáticos/síntese química , Inibidores Enzimáticos/farmacologia , Humanos , Leite Humano/enzimologia , Simulação de Acoplamento Molecular , Ratos , Espécies Reativas de Oxigênio/metabolismo , Tiazolidinedionas/síntese química , Tiazolidinedionas/química
3.
Heliyon ; 8(6): e09648, 2022 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-35756127

RESUMO

In this current work we have prepared a Schiff base ligand, (HL) derived from 5- nitropyridine-2-amine with 4-hydroxy-3-methoxybenzaldehyde and its Cu(II), and Zn(II) in 2:1 stoichiometric ratio (2HL:M). The formation of the ligand and the metal complexes were evaluated by means of MS, FT-IR, UV-Visible, 1H-NMR, 13C-NMR and thermogravimetric methods. The free radical scavenging activity of compounds was evaluated through a sequence of in vitro assays viz., DPPH, ABTS and Superoxide where BHA was used as a positive controller. In vitro α-glucosidase inhibitory activities showed that complexes had considerable inhibitory potential when compared to the ligand.

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