Tailoring of new Ni(II), Hg(II) and UO2(II)-hydrazide complexes: characterization, studies in-vitro and in-silico as well as the Hartree-Fock modeling

被引：2

作者：

Qurban, Jihan ^{[1
]}

Al-Qahtani, Salhah D. ^{[2
]}

Alsoliemy, Amerah ^{[1
]}

Alharbi, Arwa ^{[1
]}

Alkhamis, Kholood ^{[3
]}

Al-nami, Samar Y. ^{[4
]}

Zaky, Rania ^{[5
]}

El-Metwaly, Nashwa M. ^{[1
,5
]}

机构：

[1] Umm Al Qura Univ, Fac Appl Sci, Dept Chem, Mecca, Saudi Arabia

[2] Princess Nourah Bint Abdulrahman Univ, Coll Sci, Dept Chem, POB 84428, Riyadh 11671, Saudi Arabia

[3] Univ Tabuk, Coll Sci, Dept Chem, Tabuk, Saudi Arabia

[4] King Khalid Univ, Fac Sci, Dept Chem, Abha, Saudi Arabia

[5] Mansoura Univ, Fac Sci, Dept Chem, Mansoura, Egypt

来源：

JOURNAL OF SAUDI CHEMICAL SOCIETY | 2022年 / 26卷 / 03期

关键词：

Hydrazide complexes; Biological assays; Hartree-Fock; Swiss-ADME; Pharmit search; TRANSITION-METAL-COMPLEXES; SCHIFF-BASE; STRUCTURAL-CHARACTERIZATION; CATALYTIC-ACTIVITY; MACROCYCLES; ANTIOXIDANT; COPPER(II); DESIGN; CO(II);

D O I：

10.1016/j.jscs.2022.101477

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A new hydrazide ligand was prepared to synthesize Ni(II), Hg(II) and UO2(II) complexes, which elucidated by all possible tools. Accordingly, 1M:2L molar ratio was suggested for Ni(II) and Hg(II) complexes, while UO2(II) complex close to 1:1 ratio. The ligand binds as a bidentate or tridentate mode either as a monobasic via deprotonation of azomethine group or as a neutral with Hg(II) complex. A square-planer geometry was suggested for [Ni(L)2], while the other complexes reveal octahedral geometry. The antimicrobial screening was performed as well as the antioxidant and cytotoxic activity test towards Ehrlich ascites cells. The ligand and its Ni(II) complex produce a notable inhibition for microorganisms, while their antioxidant and cytotoxicity are up to the standards themselves. The DFT/B3LYP and Hartree-Fock (HF) methods were used to optimize the structures under suitable basis sets to obtain essential parameters and 3D-maps. Utilizing Swiss-ADME link reveals the positive response of the ligand to blood brain barrier and human

引用

页数：16

共 50 条

[31] Synthesis, characterization, electrochemical and in-vitro antimicrobial studies of Co(II), Ni(II), and Cu(II) complexes with Schiff bases of formyl coumarin derivatives
Kulkarni, Ajaykumar D.
Bagihalli, Gangadhar B.
Patil, Sangamesh A.
Badami, Prema S.
JOURNAL OF COORDINATION CHEMISTRY, 2009, 62 (18) : 3060 - 3072
[32] Structural, spectroscopic and thermal characterization of 2-tert-butylaminomethylpyridine-6-carboxylic acid methylester and its Fe(III), Co(II), Ni(II), Cu(II), Zn(II) and UO2(II) complexes
Mohamed, GG
El-Gamel, NEA
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2005, 61 (06) : 1089 - 1096
[33] Antimicrobial, spectral, magnetic and thermal studies of Cu(II), Ni(II), Cp(II), UO2(VI) and Fe(III) complexes of the Schiff base derived from oxalylhydrazide
Abou Melha, Khlood
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, 2008, 23 (02) : 285 - 295
[34] Fluorescent UO2(II) and ZrO(II) complexes: Synthesis, structural characterization, fluorescence, DNA binding studies and biological applications in cell probing
Abd El-Aziz, Dina M.
El-Wakiel, Nadia
Gaber, Mohamed
APPLIED ORGANOMETALLIC CHEMISTRY, 2019, 33 (08)
[35] New Ni(II) and Pd(II) complexes bearing derived sulfa drug ligands: synthesis, characterization, DFT calculations, and in silico and in vitro biological activity studies
Bourouai, Mohamed Amine
Larbi, Karima Si
Bouchoucha, Afaf
Terrachet-Bouaziz, Souhila
Djebbar, Safia
BIOMETALS, 2023, 36 (01) : 153 - 188
[36] New Ni(II) and Pd(II) complexes bearing derived sulfa drug ligands: synthesis, characterization, DFT calculations, and in silico and in vitro biological activity studies
Mohamed Amine Bourouai
Karima Si Larbi
Afaf Bouchoucha
Souhila Terrachet-Bouaziz
Safia Djebbar
BioMetals, 2023, 36 : 153 - 188
[37] Synthesis, Characterization and Thermal Analysis of a New Acetic Acid (2-Hydroxy-benzylidene)-hydrazide and its Complexes with Hg(II) and Pd(II)
Sahebalzamani, Hajar
Ghammamy, Shahriare
Dexhkam, Shaghayegh
Moghadam, Alireza Hemati
Siavoshifar, Farhod
E-JOURNAL OF CHEMISTRY, 2011, 8 : S13 - S18
[38] Preparation, spectral characterization and antimicrobial activity of binary and ternary Fe(III), Co(II), Ni(II), Cu(II), Zn(II), Ce(III) and UO2(VI) complexes of a thiocarbohydrazone ligand
Shebl, Magdy
Khalil, Saied M. E.
Al-Gohani, Faizah S.
JOURNAL OF MOLECULAR STRUCTURE, 2010, 980 (1-3) : 78 - 87
[39] Synthesis, magnetic, spectral, and antimicrobial studies of Cu(II), Ni(II) Co(II), Fe(III), and UO2(II) complexes of a new Schiff base hydrazone derived from 7-chloro-4-hydrazinoquinoline
El-Behery, Mostafa
El-Twigry, Haifaa
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2007, 66 (01) : 28 - 36
[40] Synthesis, spectral characterization and DNA cleavage studies of Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and Hg(II) complexes with benzofuran-2-carbohydrazide schiff bases
Halli, M. B.
Patil, Vijayalaxmi B.
INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY, 2011, 50 (05): : 664 - 669

← 1 2 3 4 5 →