Synthesis, spectral studies, DFT, biological evaluation, molecular docking and dyeing performance of 1-(4-((2-amino-5-methoxy)diazenyl)phenyl) ethanone complexes with some metallic ions

Design, Synthesis, Spectroscopic Inspection, DFT and Molecular Docking Study of Metal Chelates Incorporating Azo Dye Ligand for Biological Evaluation

(2023) Mohamed Ali Ibrahim Al-Gaber et al.   Materials

Synthesis, Spectroscopic Characterization, DFT Calculations, Antibacterial Activity, and Molecular Docking Analysis of Ni(II), Zn(II), Sb(III), and U(VI) Metal Complexes Derived from a Nitrogen-Sulfur Schiff Base

(2023) M. A. Latif et al.   RUSSIAN JOURNAL OF GENERAL CHEMISTRY

Synthesis and in Silico Investigation of Organoselenium-Clubbed Schiff Bases as Potential Mpro Inhibitors for the SARS-CoV-2 Replication

(2023) Saad Shaaban et al.   Life-Basel

Synthesis, structural elucidation, and density functional theory investigation of new mononuclear Fe(III), Ni(II), and Cu(II) mixed‐ligand complexes: Biological and catalase mimicking activity exploration

(2022) Aly Abdou et al.   APPLIED ORGANOMETALLIC CHEMISTRY

New mononuclear Fe(III), Co(II), Ni(II), Cu(II), and Zn(II) complexes incorporating 4‐{[(2 hydroxyphenyl)imino]methyl}phenyl‐4‐methylbenzenesulfonate (HL): Synthesis, characterization, theoretical, anti‐inflammatory, and molecular docking investigation

(2022) Nadia A. A. Elkanzi et al.   APPLIED ORGANOMETALLIC CHEMISTRY

Synthesis, Structural, Molecular Docking, DFT, Vibrational Spectroscopy, HOMO-LUMO, MEP Exploration, antibacterial and antifungal activity of new Fe(III), Co(II) and Ni(II) hetero-ligand complexes

(2022) Aly Abdou   JOURNAL OF MOLECULAR STRUCTURE

New Benzimidazole‐Based Fe (III) and Cr (III) Complexes: Characterization, Bioactivity Screening, and Theoretical Implementations Using DFT and Molecular Docking Analysis

(2022) Nadia A. A. Elkanzi et al.   APPLIED ORGANOMETALLIC CHEMISTRY

Seven metal-based bi-dentate NO azocoumarine complexes: Synthesis, physicochemical properties, DFT calculations, drug-likeness, in vitro antimicrobial screening and molecular docking analysis

(2022) Aly Abdou et al.   INORGANICA CHIMICA ACTA

Fabrication, structural elucidation, theoretical, TD-DFT, vibrational calculation and molecular docking studies of some novel adenine imine chelates for biomedical applications

(2022) Ahmed M. Abu-Dief et al.   JOURNAL OF MOLECULAR LIQUIDS

Synthesis, characterization, and DFT study of linear and non-linear optical properties of some novel thieno[2,3-b]thiophene azo dye derivatives

(2022) E. Kh Shokr et al.   MATERIALS CHEMISTRY AND PHYSICS

Synthesis, DFT, Biological and Molecular Docking Analysis of Novel Manganese(II), Iron(III), Cobalt(II), Nickel(II), and Copper(II) Chelate Complexes Ligated by 1-(4-Nitrophenylazo)-2-naphthol

(2022) Yousef A. A. Alghuwainem et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Synthesis, structural, DFT, antibacterial, antifungal, anti-inflammatory, and molecular docking analysis of new VO(II), Fe(III), Mn(II), Zn(II), and Ag(I) complexes based on 4-((2-hydroxy-1-naphthyl)azo) benzenesulfonamide

(2022) Yousef A.A. Alghuwainem et al.   JOURNAL OF MOLECULAR LIQUIDS

Synthesis, physicochemical properties, biological, molecular docking and DFT investigation of Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) complexes of the 4-[(5-oxo-4,5-dihydro-1,3-thiazol-2-yl)hydrazono]methyl}phenyl 4-methylbenzenesulfonate Schiff-base ligand

(2022) Nadia A.A. Elkanzi et al.   POLYHEDRON

A novel colorimetric chemosensor based on 2-[(carbamothioylhydrazono) methyl]phenyl 4-methylbenzenesulfonate (CHMPMBS) for the detection of Cu(II) in aqueous medium

(2022) Hajer Hrichi et al.   RESEARCH ON CHEMICAL INTERMEDIATES

Ni(II), Pd(II) and Pt(II) complexes with SNO-group thiosemicarbazone and DMSO: Synthesis, characterization, DFT, molecular docking and cytotoxicity

(2022) Md. Azharul Arafath et al.   JOURNAL OF MOLECULAR STRUCTURE

Ni(II) mixed-ligand chelates based on 2-hydroxy-1-naphthaldehyde as antimicrobial agents: Synthesis, characterization, and molecular modeling

(2021) Mohamed Ismael et al.   JOURNAL OF MOLECULAR LIQUIDS

Synthesis, molecular docking, molecular dynamic, quantum calculation, and antibacterial activity of new Schiff base-metal complexes

(2021) Heba E. Hashem et al.   JOURNAL OF MOLECULAR STRUCTURE

Structural, spectroscopic, FMOs, and non-linear optical properties exploration of three thiacaix(4)arenes derivatives

(2021) Aly Abdou et al.   Arabian Journal of Chemistry

Design and synthesis of three Fe(III) mixed-ligand complexes: Exploration of their biological and phenoxazinone synthase-like activities

(2020) Mohamed Ismael et al.   INORGANICA CHIMICA ACTA

Metal-ligand complex formation between ferrous or ferric ion with syringic acid and their anti-oxidant and anti-microbial activities: DFT and molecular docking approach

(2020) A. Kumar et al.   JOURNAL OF MOLECULAR LIQUIDS

Synthesis, characterization, molecular modeling and preliminary biochemical evaluation of new copper (II) mixed-ligand complexes

(2020) Mohamed Ismael et al.   JOURNAL OF MOLECULAR STRUCTURE

Synthesis, Characterization, Modeling, and Antimicrobial Activity of FeIII , CoII , NiII , CuII , and ZnII Complexes Based on Tri-substituted Imidazole Ligand

(2018) Mohamed Ismael et al.   ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE

Vibrational spectroscopic studies, Fukui functions, HOMO-LUMO, NLO, NBO analysis and molecular docking study of (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one, a potential precursor to bioactive agents

(2016) Reem I. Al-Wabli et al.   JOURNAL OF MOLECULAR STRUCTURE

DOCKTITE—A Highly Versatile Step-by-Step Workflow for Covalent Docking and Virtual Screening in the Molecular Operating Environment

(2015) Christoph Scholz et al.   Journal of Chemical Information and Modeling

Synthesis, structure and solvatochromic properties of some novel 5-arylazo-6-hydroxy-4-(4-methoxyphenyl)-3-cyano-2-pyridone dyes: Hydrazone-azo tautomeric analysis

(2015) Adel Alimmari et al.   Arabian Journal of Chemistry

Synthesis and Spectroscopic Properties of Some Transition Metal Complexes with New Azo-Dyes Derived From Thiazole and Imidazole

(2013)   ASIAN JOURNAL OF CHEMISTRY

Empirical Formulae to Molecular Structures of Metal Complexes by Molar Conductance

(2013) Imran Ali et al.   Synthesis and Reactivity in Inorganic Metal-Organic and Nano-Metal Chemistry