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

Schiff Base ◽

Molecular Docking ◽

Carbonic Anhydrase ◽

Structure Elucidation ◽

Density Functional ◽

Functional Theory ◽

Carbonic Anhydrase Inhibition ◽

Base Derivative

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

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):

Biological Activity ◽

Schiff Base ◽

Molecular Docking ◽

Transition Metal Complexes ◽

Schiff Base Ligand ◽

Density Functional ◽

Functional Theory ◽

Coordination Behaviour

Spectroscopic studies, Density Functional Theory calculations, and non‐linear optical properties of binuclear Fe( III ), Co( II ), Ni( II ), Cu( II ), and Zn( II ) complexes of OONN Schiff base ligand

Journal of the Chinese Chemical Society ◽

10.1002/jccs.202000024 ◽

2020 ◽

Vol 67 (10) ◽

pp. 1783-1793

Author(s):

Hussein Moustafa ◽

Gehad G. Mohamed ◽

Salwa Elramly

Keyword(s):

Optical Properties ◽

Schiff Base ◽

Schiff Base Ligand ◽

Density Functional ◽

Spectroscopic Studies ◽

Functional Theory ◽

Non Linear ◽

Linear Optical Properties

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 ◽

Molecular Docking ◽

Density Functional ◽

Photophysical Properties ◽

Docking Studies ◽

Functional Theory ◽

Molecular Docking Studies

Effect of the formation of silver nano‐binuclear complex on the refinement of cytotoxic and antibacterial potency of coumarin Schiff base: Spectroscopy, thermal, X‐ray diffraction analyses and density functional theory calculations

10.1002/aoc.4968 ◽

2019 ◽

Vol 33 (7) ◽

Author(s):

Aida L. El‐Ansary ◽

Hussein Moustafa ◽

Nora S. Abdel‐Kader ◽

Aya M. Farghaly

Keyword(s):

Schiff Base ◽

Binuclear Complex ◽

Density Functional ◽

X Ray Diffraction ◽

Functional Theory ◽

X Ray

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):

Molecular Docking ◽

Conformational Analysis ◽

Vibrational Spectra ◽

Density Functional ◽

Docking Studies ◽

Functional Theory ◽

Molecular Docking Studies ◽

Homo Lumo

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

10.1002/aoc.4699 ◽

2019 ◽

Vol 33 (4) ◽

pp. e4699 ◽

Cited By ~ 29

Author(s):

Laila H. Abdel-Rahman ◽

Ahmed M. Abu-Dief ◽

Mohamed R. Shehata ◽

Faten M. Atlam ◽

Azza A. Hassan Abdel-Mawgoud

Keyword(s):

Structure Elucidation ◽

Density Functional ◽

Ligand Design ◽

Dna Interaction ◽

Docking Studies ◽

Anticancer Activities ◽

Functional Theory ◽

Design Synthesis

A novel high performance nano chemosensor for copper (II) ion based on an ultrasound-assisted synthesized diphenylamine-based Schiff base: Design, fabrication and density functional theory calculations

Ultrasonics Sonochemistry ◽

10.1016/j.ultsonch.2017.09.054 ◽

2018 ◽

Vol 41 ◽

pp. 337-349 ◽

Cited By ~ 30

Author(s):

Zohreh Parsaee ◽

Pouya Haratipour ◽

Milad Janghorban Lariche ◽

Arash Vojood

Keyword(s):

Schiff Base ◽

High Performance ◽

Density Functional ◽

Functional Theory ◽

Ultrasound Assisted ◽

Base Design

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

10.1002/aoc.3753 ◽

2017 ◽

Vol 31 (11) ◽

Cited By ~ 11

Author(s):

Walaa H. Mahmoud ◽

Gehad G. Mohamed ◽

Ahmed M. Refat

Keyword(s):

Biological Activity ◽

Molecular Docking ◽

Density Functional ◽

Functional Theory ◽

Activity Density

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

10.1002/aoc.6250 ◽

2021 ◽

Author(s):

Adel M. Younis ◽

Mohammed M. El‐Gamil ◽

Tawfik H. Rakha ◽

Gaber M. Abu El‐Reash

Keyword(s):

Cyclic Voltammetry ◽

Biological Activity ◽

Schiff Base ◽

Molecular Docking ◽

Density Functional ◽

Docking Studies ◽

X Ray Diffraction ◽

Functional Theory ◽

X Ray

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

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):

Antimicrobial Activity ◽

Molecular Docking ◽

Crystal Growth ◽

Dna Cleavage ◽

Density Functional ◽

Spectroscopic Characterization ◽

Functional Theory ◽

Pyridinecarboxylic Acid