Antibacterial, antifungal, anti‐inflammatory evaluation, molecular docking, and density functional theory exploration of 2‐(1H‐benzimidazol‐2‐yl)guanidine mixed‐ligand complexes: Synthesis and characterization

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

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

Synthesis, Characterization, DFT, Biological and Molecular Docking of Mixed Ligand Complexes of Ni(II), Co(II), and Cu(II) Based on Ciprofloxacin and 2-(1H-benzimidazol-2-yl)phenol

(2023) Hany M. Abd El-Lateef et al.   INORGANIC CHEMISTRY COMMUNICATIONS

Fabrication, structural elucidation of some new metal chelates based on N-(1H-Benzoimidazol-2-yl)-guanidine ligand: DNA interaction, pharmaceutical studies and molecular docking approach

(2023) Ahmed M. Abu-Dief et al.   JOURNAL OF MOLECULAR LIQUIDS

Development of new 2-(Benzothiazol-2-ylimino)-2,3-dihydro-1H-imidazol-4-ol complexes as a robust catalysts for synthesis of thiazole 6-carbonitrile derivatives supported by DFT studies

(2023) Mahmoud Abd El Aleem Ali Ali El-Remaily et al.   Journal of Molecular Structure

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

Novel 2-Acetamido-2-ylidene-4-imidazole Derivatives (El-Saghier Reaction): Green Synthesis, Biological Assessment, and Molecular Docking

(2023) Ahmed M. El-Saghier et al.   ACS Omega

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)

(2023) Hany M. Abd El-Lateef et al.   ACS Omega

Synthesis of New Organoselenium-Based Succinanilic and Maleanilic Derivatives and In Silico Studies as Possible SARS-CoV-2 Main Protease Inhibitors

(2023) Saad Shaaban et al.   Inorganics

Synthesis, structural elucidation, DFT calculation, biological studies and DNA interaction of some aryl hydrazone Cr3+, Fe3+, and Cu2+ chelates

(2022) Ahmed M. Abu-Dief et al.   COMPUTATIONAL BIOLOGY AND 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

G-Quadruplex selectivity and cytotoxicity of a guanidine-encapsulated porphyrin-cyclodextrin conjugate

(2022) Aleyamma Alexander et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

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

Design, structural inspection of new bis(1H-benzo[d]imidazol-2-yl)methanone complexes: Biomedical applications and theoretical implementations via DFT and docking approaches

(2022) Faizah S. Aljohani et al.   INORGANIC CHEMISTRY COMMUNICATIONS

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

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

Structural, conformational and therapeutic studies on new thiazole complexes: drug-likeness and MOE-simulation assessments

(2021) Ahmed M. Abu-Dief et al.   RESEARCH ON CHEMICAL INTERMEDIATES

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

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

Ceftriaxone-based Schiff base transition metal(II) complexes. Synthesis, characterization, bacterial toxicity, and DFT calculations. Enhanced antibacterial activity of a novel Zn(II) complex against S. aureus and E. coli

(2021) J.R. Anacona et al.   JOURNAL OF INORGANIC BIOCHEMISTRY

Tailoring, structural elucidation, DFT calculation, DNA interaction and pharmaceutical applications of some aryl hydrazone Mn(II), Cu(II) and Fe(III) complexes

(2021) Ahmed M. Abu-Dief et al.   JOURNAL OF MOLECULAR STRUCTURE

Design and synthesis of new triarylimidazole derivatives as dual inhibitors of BRAFV600E/p38α with potential antiproliferative activity

(2021) Bahaa G.M. Youssif et al.   JOURNAL OF MOLECULAR STRUCTURE

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

Pharmacophore development, drug-likeness analysis, molecular docking, and molecular dynamics simulations for identification of new CK2 inhibitors

(2020) Sara Hammad et al.   JOURNAL OF MOLECULAR MODELING

Triorganotin(IV) complexes of Schiff base derived from 1,2,4-triazole moiety: Synthesis, spectroscopic investigation, DFT studies, antifungal activity and molecular docking studies

(2020) Rachana Joshi et al.   JOURNAL OF MOLECULAR STRUCTURE

Design, synthesis and anticonvulsant activity of new imidazolidindione and imidazole derivatives

(2020) Adel A. Marzouk et al.   BIOORGANIC CHEMISTRY

Synthesis, structure, and biological activity of bis(benzimidazole)amino thio- and selenoether nickel complexes

(2020) Natalia Muñoz-Patiño et al.   JOURNAL OF INORGANIC BIOCHEMISTRY

Synthesis, Characterization, Catalytic Activity, and DFT Calculations of Zn(II) Hydrazone Complexes

(2020) Temiloluwa T. Adejumo et al.   MOLECULES

Targeting ctDNA binding and elaborated in-vitro assessments concerning novel Schiff base complexes: Synthesis, characterization, DFT and detailed in-silico confirmation

(2020) Ahmed M. Abu-Dief 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

Some new Ag(I), VO(II) and Pd(II) chelates incorporating tridentate imine ligand: Design, synthesis, structure elucidation, density functional theory calculations for DNA interaction, antimicrobial and anticancer activities and molecular docking studies

(2019) Laila H. Abdel-Rahman et al.   APPLIED ORGANOMETALLIC CHEMISTRY

Effect of the External Electric Field on the Electronic Structure and Aromaticity of Iridabenzene: A DFT Study

(2019) H. Ghobadi et al.   JOURNAL OF STRUCTURAL CHEMISTRY

Synthesis, spectroscopic characterization, biological screening and in vitro cytotoxic studies of 4‐methyl‐3‐thiosemicarbazone derived Schiff bases and their Co (II), Ni (II), Cu (II) and Zn (II) complexes

(2019) J. Devi et al.   APPLIED ORGANOMETALLIC CHEMISTRY

Synthesis, characterization, nucleic acid interactions and photoluminescent properties of methaniminium hydrazone Schiff base and its Mn(II), Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) complexes

(2018) M. Sennappan et al.   JOURNAL OF MOLECULAR STRUCTURE

Design, synthesis and therapeutic potential of 3-(2-(1H-benzo[d]imidazol-2-ylthio)acetamido)-N-(substituted phenyl)benzamide analogues

(2018) Sumit Tahlan et al.   Chemistry Central Journal

New nano-complexes of Zn(II), Cu(II), Ni(II) and Co(II) ions; spectroscopy, thermal, structural analysis, DFT calculations and antimicrobial activity application

(2017) Hoda F. El-Shafiy et al.   JOURNAL OF MOLECULAR STRUCTURE

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

Molecular Quantum Similarity, Chemical Reactivity and Database Screening of 3D Pharmacophores of the Protein Kinases A, B and G from Mycobacterium tuberculosis

(2017) Alejandro Morales-Bayuelo   MOLECULES

Design and nonlinear optical properties (NLO) using DFT approach of new Cr(III), VO(II), and Ni(II) chelates incorporating tri-dentate imine ligand for DNA interaction, antimicrobial, anticancer activities and molecular docking studies

(2017) Laila H. Abdel-Rahman et al.   Arabian Journal of Chemistry

Pterin–sulfa conjugates as dihydropteroate synthase inhibitors and antibacterial agents

(2016) Ying Zhao et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Nitrogen-doped&SnO 2 -incoportaed TiO 2 nanofibers as novel and effective photoanode for enhanced efficiency dye-sensitized solar cells

(2016) Ibrahim M.A. Mohamed et al.   CHEMICAL ENGINEERING JOURNAL

Structure, vibrational analysis, electronic properties and chemical reactivity of two benzoxazole derivatives: Functional density theory study

(2016) Sihem Zaater et al.   JOURNAL OF MOLECULAR STRUCTURE

Highly-Efficient Plasmon-Enhanced Dye-Sensitized Solar Cells Created by Means of Dry Plasma Reduction

(2016) Van-Duong Dao et al.   Nanomaterials

Ni(II) and Zn(II) complexes of 2-((thiophen-2-ylmethylene)amino)benzamide: Synthesis, spectroscopic characterization, thermal, DFT and anticancer activities

(2015) Prateek Tyagi et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Multicomponent green synthesis, spectroscopic and structural investigation of multi-substituted imidazoles. Part 1

(2015) Shaaban K. Mohamed et al.   ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES

Novel dithiols as capping ligands for CdSe quantum dots: optical properties and solar cell applications

(2015) Avvaru Praveen Kumar et al.   Journal of Materials Chemistry C

Design and synthesis of N1-aryl-benzimidazoles 2-substituted as novel HIV-1 non-nucleoside reverse transcriptase inhibitors

(2014) Anna-Maria Monforte et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Plasma Reduction of Nanostructured TiO2Electrode to Improve Photovoltaic Efficiency of Dye-Sensitized Solar Cells

(2014) Van-Duong Dao et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Replacing sulfa drugs with novel DHPS inhibitors

(2013) Dalia I Hammoudeh et al.   Future Medicinal Chemistry

Synthesis and Structural Characterization of Substituted 2-Phenacylbenzoxazoles

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

Synthesis, biological evaluation and SAR studies of benzimidazole derivatives as H1-antihistamine agents

(2012) Xiao Jian Wang et al.   CHINESE CHEMICAL LETTERS

Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery

(2012) Xuan-Yu Meng et al.   Current Computer-Aided Drug Design

Electrophilic natural products and their biological targets

(2012) Malte Gersch et al.   NATURAL PRODUCT REPORTS

Synthesis and biological evaluation of benzimidazole-5-carbohydrazide derivatives as antimalarial, cytotoxic and antitubercular agents

(2011) José Camacho et al.   BIOORGANIC & MEDICINAL CHEMISTRY

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

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

Synthesis and biological evaluation of radio-iodinated benzimidazoles as SPECT imaging agents for NR2B subtype of NMDA receptor

(2010) Takeshi Fuchigami et al.   BIOORGANIC & MEDICINAL CHEMISTRY

In-vivo analgesic and anti-inflammatory activities of newly synthesized benzimidazole derivatives

(2010) Kavitha C.S. Achar et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Modeling the binding modes of stilbene analogs to cyclooxygenase-2: a molecular docking study

(2010) Souhila Bouaziz-Terrachet et al.   JOURNAL OF MOLECULAR MODELING

Spectrophotometric study of some Mn(II) ternary complexes and their analytical applications

(2009) Rafat Mohamad El-Khatib et al.   MONATSHEFTE FUR CHEMIE

Design, synthesis and in vitro antiprotozoal activity of benzimidazole-pentamidine hybrids

(2008) Héctor Torres-Gómez et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Synthesis, characterization, DNA cleavage and in vitro antimicrobial studies of La(III), Th(IV) and VO(IV) complexes with Schiff bases of coumarin derivatives

(2008) Ajaykumar Kulkarni et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Nickel(II) and copper(II) complexes with Schiff base ligand 2,6-diacetylpyridine bis(carbohydrazone): Synthesis and IR, mass, 1H NMR, electronic and EPR spectral studies

(2008) Sulekh Chandra et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY