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

Novel Nano Copper Complexes of a New Schiff Base: Green Synthesis, a New Series of Solid Cr(II), Co(II), Cu(II), Pd(II) and Cd(II) Chelates, Characterization, DFT, DNA, Antitumor and Molecular Docking Studies

(2022) Shimaa Hosny et al.   APPLIED ORGANOMETALLIC CHEMISTRY

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

Theoretical unraveling the complexation and separation of uranyl–ligand complexes towards chiral R/S‐profenofos

(2022) Linfeng Liu et al.   APPLIED ORGANOMETALLIC CHEMISTRY

Spectroscopic studies, DFT calculations, cytotoxicity activity, and docking stimulation of novel metal complexes of Schiff base ligand of isonicotinohydrazide derivative

(2022) Nelly H. Mahmoud et al.   APPLIED ORGANOMETALLIC CHEMISTRY

New mixed‐ligand iron (III) complexes containing thiocarbohydrazones: Preparation, characterization, and chemical reactivity analysis through theoretical calculations

(2022) Yeliz Kaya et al.   APPLIED ORGANOMETALLIC CHEMISTRY

Synthesis, characterization, molecular docking, DNA cleavage properties, and antimicrobial activity studies of mixed ligand complexes

(2022) Adel Z. El‐Sonbati et al.   APPLIED ORGANOMETALLIC CHEMISTRY

Aminobenzimidazole‐based ( η 6 ‐ p ‐cymene)ruthenium (II) complexes as nascent anticancer chemotherapeutics: Synthesis, crystal structure, DFT studies, HSA interactions, molecular docking, and cytotoxicity

(2022) Rais Ahmad Khan 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

Zinc(II)‐facilitated nucleophilic addition on N‐(4‐chlorophenyl) carbon hydrazonoyl dicyanide and hybrid complex formation: X‐ray, spectral characteristics, DFT, molecular docking, and biological studies

(2022) Hemmat A. Elbadawy et al.   APPLIED ORGANOMETALLIC CHEMISTRY

New transition metal complexes of 1‐phenyl‐2‐((quinolin‐2‐ylmethylene)amino)ethan‐1‐ol Schiff base: Spectroscopic, X‐ray, DFT, Hirshfeld surface analysis, biological, and molecular docking studies

(2022) Fatma M. Elantabli 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

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

Coordinating behavior of hydrazone ligand bearing chromone moiety towards Cu(II) ions: Synthesis, spectral, density functional theory (DFT) calculations, antitumor, and docking studies

(2021) Ebtesam M. Abdelrhman et al.   APPLIED ORGANOMETALLIC CHEMISTRY

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, spectroscopic characterization (FT-IR, PL), DFT calculations and antibacterial activity of silver(I) nitrate complex with nicotinaldehyde

(2021) Sibel Celik et al.   INORGANIC CHEMISTRY COMMUNICATIONS

Synthesis, spectroscopic, theoretical and biological evaluation of novel Schiff base complexes of divalent transition metals

(2021) Kiran Singh et al.   APPLIED ORGANOMETALLIC CHEMISTRY

Novel palladium (II) complexes with iminocoumarin ligands: Synthesis, characterisation, electrochemical behaviour, DFT calculations and biological activities, ADMET study and molecular docking

(2021) Asma Kerflani et al.   INORGANICA CHIMICA ACTA

Toward a treatment of antibacterial and antifungal infections: Design, synthesis and in vitro activity of novel arylhydrazothiazolylsulfonamides analogues and their insight of DFT, docking and molecular dynamic simulations

(2021) Ismail M.M. Othman 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

Synthesis, DFT, computational exploration of chemical reactivity, molecular docking studies of novel formazan metal complexes and their biological applications

(2020) Shakeel Ahmad Khan et al.   APPLIED ORGANOMETALLIC CHEMISTRY

Antioxidant, Antimicrobial and Antitumor Studies of Transition Metal Complexes Derived from N‐(2‐Aminoethyl)‐1,3‐Propanediamine with DFT Calculations and Molecular Docking Investigation

(2020) Perihan A. Khalaf‐Alla   APPLIED ORGANOMETALLIC CHEMISTRY

Structural, DFT/B3LYP and molecular docking studies of binuclear thiosemicarbazide Copper (II) complexes and their biological investigations

(2020) Tarek A. Fayed et al.   APPLIED ORGANOMETALLIC CHEMISTRY

Synthesis, characterization, and biological investigation of new mixed‐ligand complexes

(2020) Basma H. Amin et al.   APPLIED ORGANOMETALLIC 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

Novel metal complexes of 3‐acetylcoumarin‐2‐hydrazinobenzothiazole Schiff base: Design, structural characterizations, DNA binding, DFT calculations, molecular docking and biological studies

(2020) Shadia A. Elsayed et al.   APPLIED ORGANOMETALLIC CHEMISTRY

Preparing Pd catalysts based on urea ligand via electrospinning for Suzuki–Miyaura cross‐coupling reactions

(2020) Guangyang Bao et al.   APPLIED ORGANOMETALLIC CHEMISTRY

DNA/bovine serum albumin binding and cytotoxicity of transition metal ternary complexes based on sulfamethazine and bromazepam drugs

(2020) Ahmed M. Mansour et al.   APPLIED ORGANOMETALLIC CHEMISTRY

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

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

DFT calculations on molecular structures, HOMO-LUMO study, reactivity descriptors and spectral analyses of newly synthesized diorganotin(IV) 2-chloridophenylacetohydroxamate complexes

(2019) VineetKumar Choudhary et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

Nano-synthesis, characterization, modeling and molecular docking analysis of Mn (II), Co (II), Cr (III) and Cu (II) complexes with azo pyrazolone ligand as new favorable antimicrobial and antitumor agents

(2018) Mohamed Gaber et al.   APPLIED ORGANOMETALLIC CHEMISTRY

Synthetic approaches to benzimidazoles from o-phenylenediamine: A literature review

(2017) Shatha Ibrahim Alaqeel   Journal of Saudi Chemical Society

Synthesis, Characterization and Biological Evaluation of Transition Metal Complexes Derived from N, S Bidentate Ligands

(2015) Enis Md Yusof et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

A synthetic, spectroscopic and computational study of copper(II) complexes supported by pyridylamide ligands

(2015) Magnus A. Pauly et al.   POLYHEDRON

Synthesis and biological evaluation of 2-substituted benzimidazole derivatives

(2015) Gurusamy Mariappan et al.   Arabian Journal of Chemistry

Structural, spectral, DFT and biological studies of (E)-3-(2-(2-hydroxybenzylidene)hydrazinyl)-3-oxo-N-(p-tolyl)propanamide complexes

(2014) K.M. Ibrahim et al.   JOURNAL OF MOLECULAR STRUCTURE

Synthesis, characterization, crystal structure and theoretical approach of Cu(II) complex with 4-{(Z)-[(2-hydroxybenzoyl)hydrazono]methyl}benzoic acid

(2012) Shi-Liang Chen et al.   JOURNAL OF MOLECULAR STRUCTURE

Synthesis, spectroscopic, and biological evaluation of some levofloxacin metal complexes

(2012) Najma Sultana et al.   MEDICINAL CHEMISTRY RESEARCH

Spectral, magnetic, thermal, molecular modelling, ESR studies and antimicrobial activity of (E)-3-(2-(2-hydroxybenzylidene) hydrazinyl)-3-oxo-n(thiazole-2-yl)propanamide complexes

(2011) R.R. Zaky et al.   JOURNAL OF MOLECULAR STRUCTURE

Synthesis, characterization and antimicrobial investigation of some moxifloxacin metal complexes

(2011) Sadeek A. Sadeek et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Synthesis, characterization, antibacterial, antifungal and immunomodulating activities of gatifloxacin–metal complexes

(2010) Najma Sultana et al.   JOURNAL OF MOLECULAR STRUCTURE

Synthesis and characterization of bioactive zinc(II) and cadmium(II) complexes with new Schiff bases derived from 4-nitrobenzaldehyde and acetophenone with ethylenediamine

(2010) Anant Prakash et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Synthesis, spectral characterization and antimicrobial activity of some transition metal(II) complexes with acetone p-amino acetophenone benzoylhydrazone

(2008) Vinod Prasad Singh et al.   PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY