Synthesis, Characterization, Antimicrobial, Density Functional Theory, and Molecular Docking Studies of Novel Mn(II), Fe(III), and Cr(III) Complexes Incorporating 4-(2-Hydroxyphenyl azo)-1-naphthol (Az)

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

A novel azo‐azomethine benzoxazole‐based ligand and its transition metal (II), (III), (IV) complexes: Synthesis, characterization, theoretical studies, biological evaluation, and catalytic application

(2023) Eman A. Bakr et al.   APPLIED ORGANOMETALLIC CHEMISTRY

New mixed‐ligand thioether‐quinoline complexes of nickel(II), cobalt(II), and copper(II): Synthesis, structural elucidation, density functional theory, antimicrobial activity, and molecular docking exploration

(2023) Hany M. Abd El‐Lateef et al.   APPLIED ORGANOMETALLIC CHEMISTRY

Synthesis and Characterization of Metals Complexes with Uracil and Uracil Derivatives (A Review)

(2023) S. R. Al-Ayash et al.   RUSSIAN JOURNAL OF GENERAL CHEMISTRY

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

Designing, characterization, biological, DFT, and molecular docking analysis for new FeAZD, NiAZD, and CuAZD complexes incorporating 1-(2-hydroxyphenylazo)− 2-naphthol (H2AZD)

(2023) Hany M. Abd El-Lateef et al.   COMPUTATIONAL BIOLOGY AND CHEMISTRY

Solvent effect on the self-association of the 1,2,4-triazole: A DFT study

(2023) Masrur Khodiev et al.   JOURNAL OF MOLECULAR LIQUIDS

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

(2023) Amer J. Jarad et al.   Journal of Molecular Structure

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 characterization and biological studies of Ni(II), Cu(II) and Fe(III) complexes of hydrazone derived from 2-(2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)hydrazinyl)benzoic acid

(2022) Shubha S. Kumar et al.   INORGANICA CHIMICA ACTA

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

Synthesis, spectroscopic (13C/1H-NMR, FT-IR) investigations, quantum chemical modelling (FMO, MEP, NBO analysis), and antioxidant activity of the bis-benzimidazole molecule

(2022) Amine Ouaket et al.   JOURNAL OF MOLECULAR STRUCTURE

Synthesis, Characterization, Optical, DFT, TD DFT Studies and in Silico ADME Predictions of Thiosemicarbazone Ligand and its Au(III) Complex

(2022) T. A. Yousef et al.   Oriental Journal of Chemistry

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 of coumarin-thioether conjugates as potential anti-tubercular agents: Their molecular docking and X-ray crystal studies

(2022) Mahesh Akki et al.   JOURNAL OF MOLECULAR STRUCTURE

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

Solvent-free synthesis of FAU zeolite from coal fly ash

(2022) Pei Liu et al.   DALTON TRANSACTIONS

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

Development and structure elucidation of new VO 2+ , Mn 2+ , Zn 2+ , and Pd 2+ complexes based on azomethine ferrocenyl ligand: DNA interaction, antimicrobial, antioxidant, anticancer activities, and molecular docking

(2021) Enas T. Aljohani et al.   APPLIED ORGANOMETALLIC CHEMISTRY

Theoretical and experimental investigations of new bis (amino triazole) schiff base ligand: Preparation of its UO 2 (II), Er (III), and La (III) complexes, studying of their antibacterial, anticancer, and molecular docking

(2021) Reem G. Deghadi et al.   APPLIED ORGANOMETALLIC CHEMISTRY

Synthesis, Identification, and Biological Study for Some Complexes of Azo Dye Having Theophylline

(2021) Hasan Mohammed   TheScientificWorldJOURNAL

Nano‐synthesis, solid‐state structural characterization, and antimicrobial and anticancer assessment of new sulfafurazole azo dye‐based metal complexes for further pharmacological applications

(2021) Abdalla M. Khedr et al.   APPLIED ORGANOMETALLIC CHEMISTRY

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

Synthesis, spectra (FT-IR, NMR) investigations, DFT, FMO, MEP, NBO analysis and catalytic activity of MoO2(VI) complex with ONO tridentate hydrazone Schiff base ligand

(2021) Hadi Kargar et al.   JOURNAL OF MOLECULAR STRUCTURE

Design of Azobenzene beyond Simple On–Off Behavior

(2021) Saber Mehrparvar et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthesis of Some Novel Nanosized Chelates of Anchoring Bisazo Dye 5-[5-(4,6-Dioxo-2-thioxo-hexahydro-pyrimidin-5-ylazo)-naphthalen-1-ylazo]-2-mercapto-1H-pyrimidine-4,6-dione and Their Applications as Antioxidant and Antitumor Agents

(2021) Fatma I. Abouzayed et al.   ACS Omega

New Charge Transfer Complex between 4-Dimethylaminopyridine and DDQ: Synthesis, Spectroscopic Characterization, DNA Binding Analysis, and Density Functional Theory (DFT)/Time-Dependent DFT/Natural Transition Orbital Studies

(2021) Mahipal Varukolu et al.   ACS Omega

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 and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes

(2020) Rong Fan et al.   ACS Omega

A manganese (II) complex tethered with S-benzyldithiocarbazate Schiff base: Synthesis, characterization, in-vitro therapeutic activity and protein interaction studies

(2020) Manasa Kongot et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Metal complexes of tetradentate azo‐dye ligand derived from 4,4′‐oxydianiline: Preparation, structural investigation, biological evaluation and MOE studies

(2020) Reem G. Deghadi et al.   APPLIED ORGANOMETALLIC CHEMISTRY

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

New mixed amino acids complexes of iron(III) and zinc(II) with isonitrosoacetophenone: Synthesis, spectral characterization, DFT study and anticancer activity

(2019) Nabila Tidjani Rahmouni et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Exploring Colorimetric Real-Time Sensing Behavior of a Newly Designed CT Complex toward Nitrobenzene and Co2+: Spectrophotometric, DFT/TD-DFT, and Mechanistic Insights

(2019) Ishaat M. Khan et al.   ACS Omega

Azo Initiator Loaded Black Mesoporous Titania with Multiple Optical Energy Conversion for Synergetic Photo-Thermal-Dynamic Therapy

(2019) Meifang Wang et al.   ACS Applied Materials & Interfaces

Azo dye with nitrogen donor sets of atoms and its metal complexes: Synthesis, characterization, DFT, biological, anticancer and Molecular docking studies

(2018) Walaa H. Mahmoud et al.   APPLIED ORGANOMETALLIC CHEMISTRY

Azo-dyes based small bifunctional molecules for metal chelation and controlling amyloid formation

(2018) Monika Rana et al.   INORGANICA CHIMICA ACTA

Advances in Direct Metal-Catalyzed Functionalization of Azobenzenes

(2018) T. H. Long Nguyen et al.   ACS Catalysis

Geometrical structures, thermal properties and spectroscopic studies of Schiff base complexes: Correlation between ionic radius of metal complexes and DNA binding

(2017) Sh.M. Morgan et al.   JOURNAL OF MOLECULAR LIQUIDS

New Generation of Nitrite Functionalized Star-like Polyvinyl Imidazolium Compound: Application as a Nitrosonium Source and Three Dimensional Nanocatalyst for the Synthesis of Azo Dyes

(2017) Ashkan Shomali et al.   LETTERS IN ORGANIC CHEMISTRY

Synthesis, characterization, cytotoxicity, DNA cleavage, and antimicrobial activity of lanthanide(III) complexes of a Schiff base ligand derived from glycylglycine and 4-nitrobenzaldehyde

(2017) C. Shiju et al.   Arabian Journal of Chemistry

Synthesis, characterization andin vitroantimicrobial and anti-breast cancer activity studies of metal complexes of novel pentadentate azo dye ligand

(2016) Walaa H. Mahmoud et al.   APPLIED ORGANOMETALLIC CHEMISTRY

Solvent-free synthesis and computational studies of transition metal complexes of the aceto- and thioaceto-acetanilide derivatives

(2016) Ahmed Fekri et al.   JOURNAL OF ORGANOMETALLIC CHEMISTRY

Vibrational Spectroscopic and Structural Investigations of 2-Amino-6-Methoxy-3-Nitropyridine: a DFT Approach

(2015) S. Premkumar et al.   BRAZILIAN JOURNAL OF PHYSICS

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

Schiff base and non-Schiff base macrocyclic ligands and complexes incorporating the pyridine moiety – The first 50 years

(2014) Majid Rezaeivala et al.   COORDINATION CHEMISTRY REVIEWS

Synthesis, spectral, X-ray diffraction, antimicrobial studies, and DNA binding properties of binary and ternary complexes of pentadentate N2O3 carbohydrazone ligands

(2014) Magdy Shebl et al.   MONATSHEFTE FUR CHEMIE

DFT calculation and vibrational spectroscopic studies of 2-(tert-butoxycarbonyl (Boc) -amino)-5-bromopyridine

(2014) S. Premkumar et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Copper(II) Complexes with Highly Water-Soluble l- and d-Proline–Thiosemicarbazone Conjugates as Potential Inhibitors of Topoisomerase IIα

(2013) Felix Bacher et al.   INORGANIC CHEMISTRY

Synthesis and Structural Characterization of Substituted 2-Phenacylbenzoxazoles

(2013) Agnieszka Skotnicka et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Large variation in electrostatic contours upon addition of steric parameters and the effect of charge calculation schemes in CoMFA on mutagenicity of MX analogues

(2012) Changdev G. Gadhe et al.   MOLECULAR SIMULATION

Synthesis and Fluorescence Properties of Thiazole–Boron Complexes Bearing a β-Ketoiminate Ligand

(2012) Yasuhiro Kubota et al.   ORGANIC LETTERS

Synthesis, characterization and antimicrobial studies of transition metal complexes of imidazole derivative

(2011) Saeed-ur-Rehman Rehman et al.   BULLETIN OF THE CHEMICAL SOCIETY OF ETHIOPIA

Combined Experimental and Computational Study ofcis-transIsomerism in Bis(l-valinato)copper(II)

(2011) Marijana Marković et al.   INORGANIC CHEMISTRY

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Investigations of drug–DNA interactions using molecular docking, cyclic voltammetry and UV–Vis spectroscopy

(2011) Fouzia Perveen et al.   JOURNAL OF MOLECULAR STRUCTURE

Combined experimental and computational modeling studies on 4-[(2-hydroxy-3-methylbenzylidene) amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

(2010) Hasan Tanak et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

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