Synthesis, characterization, theoretical studies, ADMET and drug-Likeness analysis: Electrochemical and biological activities of metal complexes of 3-(2-hydroxybenzoyl)-2H-chromen-2-one

被引：21

作者：

Belkhir-Talbi, Drifa ^{[1
,2
,3
]}

Makhloufi-Chebli, Malika ^{[1
,2
]}

Terrachet-Bouaziz, Souhila ^{[3
]}

Hikem-Oukacha, Djamila ^{[1
,2
]}

Ghemmit, Naima ^{[3
]}

Ismaili, Lhassane ^{[4
]}

Silva, Artur M. S. ^{[5
]}

Hamdi, Maamar ^{[2
]}

机构：

[1] Univ Mouloud Mammeri, Fac Sci, Dept Chim, Lab LPCM, Tizi Ouzou 15000, Algeria

[2] Univ Sci & Technol Houari Boumediene, Fac Chim, Grp Heterocycles, Lab Chim Organ Appl, BP32, Bab Ezzouar 16111, Alger, Algeria

[3] Univ Mohamed Bouguerra, Dept Chem, Fac Sci, Boumerdes, Algeria

[4] Univ Franche Comte, UFR Sci Med & Pharmaceut, Besancon, France

[5] Univ Aveiro, Dept Chem, QOPNA, P-3810193 Aveiro, Portugal

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2019年 / 1179卷

关键词：

Coumarin; Metal complexes; Spectroscopic analysis; Anti-oxidant activity; Antibacterial activity; Drug-likeness; ADME analysis; DENSITY-FUNCTIONAL THERMOCHEMISTRY; EFFECTIVE CORE POTENTIALS; ANTIMICROBIAL ACTIVITY; COUMARIN DERIVATIVES; MOLECULAR CALCULATIONS; SILVER(I) COMPLEXES; CYTOTOXIC ACTIVITY; CRYSTAL-STRUCTURES; PLANT-EXTRACTS; ANTIBACTERIAL;

D O I：

10.1016/j.molstruc.2018.11.035

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Coordination compounds of 3-(2-hydroxybenzoyl)-2H-chromen-2-one were synthesized by the reaction of Cu(II), Co(II) and Zn(II) salts in molar ratio 1:1 in basic media. The compounds formed were characterized using infrared, Uv-vis spectrophotometric analyses, mass spectrometry, elemental analyses and NMR spectroscopy. It was concluded that 3-(2-hydroxybenzoyl)-2H-chromen-2-one coordinated as a mono ligand for all the complexes; it also coordinated via the two carbonyl moieties. The electrochemical behavior of these compounds was determined by cyclic voltammetry. The synthesized compounds were screened for their antimicrobial and antioxidant activities. The complexes exhibited good antimicrobial activity against Staphylococcus aureus (ATCC 25923) and good antioxidant activity. Parameters drug-likeness and ADME properties are calculated. (C) 2018 Elsevier B.V. All rights reserved.

引用

页码：495 / 505

页数：11

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