Preparation, characterization, biological activity, density functional theory calculations and molecular docking of chelates of diazo ligand derived from
            m
            ‐phenylenediamine and
            p
            ‐chlorophenol

Walaa H. Mahmoud; Gehad G. Mohamed; Ahmed M. Refat

doi:10.1002/aoc.3753

Preparation, characterization, biological activity, density functional theory calculations and molecular docking of chelates of diazo ligand derived from m ‐phenylenediamine and p ‐chlorophenol

Applied Organometallic Chemistry ◽

10.1002/aoc.3753 ◽

2017 ◽

Vol 31 (11) ◽

Cited By ~ 11

Author(s):

Walaa H. Mahmoud ◽

Gehad G. Mohamed ◽

Ahmed M. Refat

Keyword(s):

Density Functional Theory ◽

Biological Activity ◽

Molecular Docking ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Activity Density

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Coordination behaviour, molecular docking, density functional theory calculations and biological activity studies of some transition metal complexes of bis-Schiff base ligand

Applied Organometallic Chemistry ◽

10.1002/aoc.4525 ◽

2018 ◽

Vol 33 (1) ◽

pp. e4525 ◽

Cited By ~ 5

Author(s):

Ehab M. Zayed ◽

Ahmed M.M. Hindy ◽

Gehad G. Mohamed

Keyword(s):

Density Functional Theory ◽

Biological Activity ◽

Schiff Base ◽

Molecular Docking ◽

Transition Metal Complexes ◽

Schiff Base Ligand ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Coordination Behaviour

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A novel series of M(II) complexes of 6‐methylpyridine‐2‐carboxylic acid with 4(5)methylimidazole: Synthesis, crystal structures, α‐glucosidase activity, density functional theory calculations and molecular docking

Applied Organometallic Chemistry ◽

10.1002/aoc.6591 ◽

2022 ◽

Author(s):

Davut Avcı ◽

Sümeyye Altürk ◽

Fatih Sönmez ◽

Ömer Tamer ◽

Adil Başoğlu ◽

...

Keyword(s):

Density Functional Theory ◽

Molecular Docking ◽

Carboxylic Acid ◽

Crystal Structures ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Glucosidase Activity ◽

Activity Density

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A novel series of M(II) complexes of 6‐methylpyridine‐2‐carboxylic acid with 4(5)methylimidazole: Synthesis, crystal structures, α‐glucosidase activity, density functional theory calculations and molecular docking

Applied Organometallic Chemistry ◽

10.1002/aoc.4935 ◽

2019 ◽

Vol 33 (7) ◽

Cited By ~ 5

Author(s):

Davut Avcı ◽

Sümeyye Altürk ◽

Fatih Sönmez ◽

Ömer Tamer ◽

Adil Başoğlu ◽

...

Keyword(s):

Density Functional Theory ◽

Molecular Docking ◽

Carboxylic Acid ◽

Crystal Structures ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Glucosidase Activity ◽

Activity Density

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Synthesis, crystal structure, photophysical properties, density functional theory calculations and molecular docking studies on Cd(II) complex of 4,4′-dimethyl-2,2′-dipyridyl

Journal of Molecular Structure ◽

10.1016/j.molstruc.2019.127288 ◽

2020 ◽

Vol 1202 ◽

pp. 127288 ◽

Cited By ~ 2

Author(s):

Ömer Tamer ◽

Davut Avcı ◽

Necmi Dege ◽

Yusuf Atalay

Keyword(s):

Crystal Structure ◽

Density Functional Theory ◽

Molecular Docking ◽

Density Functional ◽

Photophysical Properties ◽

Density Functional Theory Calculations ◽

Docking Studies ◽

Functional Theory ◽

Molecular Docking Studies

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Molecular conformational analysis, vibrational spectra, NBO, NLO, HOMO–LUMO and molecular docking studies of ethyl 3-( E )-(anthracen-9-yl)prop-2-enoate based on density functional theory calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2015.05.092 ◽

2015 ◽

Vol 150 ◽

pp. 533-542 ◽

Cited By ~ 16

Author(s):

Y. Sheena Mary ◽

Hema Tresa Varghese ◽

C. Yohannan Panicker ◽

Thies Thiemann ◽

Abdulaziz A. Al-Saadi ◽

...

Keyword(s):

Density Functional Theory ◽

Molecular Docking ◽

Conformational Analysis ◽

Vibrational Spectra ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Docking Studies ◽

Functional Theory ◽

Molecular Docking Studies ◽

Homo Lumo

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Carbonic anhydrase inhibition of Schiff base derivative of imino-methyl-naphthalen-2-ol: Synthesis, structure elucidation, molecular docking, dynamic simulation and density functional theory calculations

Journal of Molecular Structure ◽

10.1016/j.molstruc.2017.11.086 ◽

2018 ◽

Vol 1156 ◽

pp. 193-200 ◽

Cited By ~ 7

Author(s):

Saghir Abbas ◽

Hafiza Huma Nasir ◽

Sumera Zaib ◽

Saqib Ali ◽

Tariq Mahmood ◽

...

Keyword(s):

Density Functional Theory ◽

Schiff Base ◽

Molecular Docking ◽

Carbonic Anhydrase ◽

Structure Elucidation ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Carbonic Anhydrase Inhibition ◽

Base Derivative

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Iron(III), copper(II), cadmium(II), and mercury(II) complexes of isatin carbohydrazone Schiff base ligand (H 3 L): Synthesis, characterization, X‐ray diffraction, cyclic voltammetry, fluorescence, density functional theory, biological activity, and molecular docking studies

Applied Organometallic Chemistry ◽

10.1002/aoc.6250 ◽

2021 ◽

Author(s):

Adel M. Younis ◽

Mohammed M. El‐Gamil ◽

Tawfik H. Rakha ◽

Gaber M. Abu El‐Reash

Keyword(s):

Density Functional Theory ◽

Cyclic Voltammetry ◽

Biological Activity ◽

Schiff Base ◽

Molecular Docking ◽

Density Functional ◽

Docking Studies ◽

X Ray Diffraction ◽

Functional Theory ◽

X Ray

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Crystal growth, structural and spectroscopic characterization, antimicrobial activity, DNA cleavage, molecular docking and density functional theory calculations of Zn(II) complex with 2-pyridinecarboxylic acid

Applied Organometallic Chemistry ◽

10.1002/aoc.4540 ◽

2018 ◽

Vol 32 (11) ◽

pp. e4540 ◽

Cited By ~ 5

Author(s):

Ömer Tamer ◽

Davut Avcı ◽

Emine Çelikoğlu ◽

Önder İdil ◽

Yusuf Atalay

Keyword(s):

Density Functional Theory ◽

Antimicrobial Activity ◽

Molecular Docking ◽

Crystal Growth ◽

Dna Cleavage ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Spectroscopic Characterization ◽

Functional Theory ◽

Pyridinecarboxylic Acid

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Spectroscopic studies, density functional theory calculations, non-linear optical properties, biological activity of 1-hydroxy-4-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)diazenyl)-2-naphthoic acid and its chelates with Nickel (II), Copper (II), Zinc (II) and Palladium (II) metal ions

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.129203 ◽

2021 ◽

Vol 1223 ◽

pp. 129203

Author(s):

Nora S. Abdel-Kader ◽

Samir A. Abdel-Latif ◽

Aida L. El-Ansary ◽

Amira G. Sayed

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Biological Activity ◽

Metal Ions ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Spectroscopic Studies ◽

Functional Theory ◽

Naphthoic Acid ◽

Linear Optical Properties

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Syntheses of novel 2-oxo-1,2-dihydroquinoline derivatives: Molecular and crystal structures, spectroscopic characterizations, Hirshfeld surface analyses, molecular docking studies and density functional theory calculations

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.128461 ◽

2020 ◽

Vol 1217 ◽

pp. 128461

Author(s):

Yassir Filali Baba ◽

Halil Gökce ◽

Youssef Kandri Rodi ◽

Sonia Hayani ◽

Fouad Ouazzani Chahdi ◽

...

Keyword(s):

Density Functional Theory ◽

Molecular Docking ◽

Crystal Structures ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Docking Studies ◽

Hirshfeld Surface ◽

Functional Theory ◽

Molecular Docking Studies ◽

Molecular And Crystal Structures

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