Antimicrobial Activity, DFT Calculations, and Molecular Docking of Dialdehyde Cellulose/Graphene Oxide Film Against Covid-19

Journal of Polymers and the Environment ◽

10.1007/s10924-020-02039-5 ◽

2021 ◽

Author(s):

Sawsan Dacrory

Keyword(s):

Antimicrobial Activity ◽

Graphene Oxide ◽

Molecular Docking ◽

Dft Calculations ◽

Dialdehyde Cellulose

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Synthesis, spectral characterization, DFT calculations, antimicrobial activity and molecular docking of 4-bromo-2-((2-hydroxy-5-methylphenylimino)methyl)phenol and its V(V) complex

Inorganica Chimica Acta ◽

10.1016/j.ica.2016.10.018 ◽

2017 ◽

Vol 455 ◽

pp. 173-182 ◽

Author(s):

Reza Takjoo ◽

Alireza Akbari ◽

S. Yousef Ebrahimipour ◽

Maciej Kubicki ◽

Maryam Mohamadi ◽

...

Keyword(s):

Antimicrobial Activity ◽

Molecular Docking ◽

Dft Calculations ◽

Spectral Characterization

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An Insight into Non-Covalent Interactions in Binary, Ternary and Quaternary Copper (II) Complexes: Synthesis, X-ray structure, DFT Calculations, Antimicrobial Activity and Molecular Docking Studies

Inorganica Chimica Acta ◽

10.1016/j.ica.2021.120748 ◽

2021 ◽

pp. 120748

Author(s):

Amel F. Elhusseiny ◽

Ali El-Dissouky ◽

Franz Mautner ◽

Eman M. Tawfik ◽

Doaa S. El-Sayed

Keyword(s):

Antimicrobial Activity ◽

Molecular Docking ◽

Dft Calculations ◽

Docking Studies ◽

X Ray ◽

Molecular Docking Studies ◽

Non Covalent Interactions ◽

Covalent Interactions ◽

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Design, Synthesis and Docking Studies of Some Novel Fluoroquinolone Compounds with Antibacterial Activity

Revista de Chimie ◽

10.37358/rc.18.4.6207 ◽

2018 ◽

Vol 69 (4) ◽

pp. 815-822 ◽

Author(s):

Lucia Pintilie ◽

Amalia Stefaniu ◽

Alina Ioana Nicu ◽

Maria Maganu ◽

Miron Teodor Caproiu

Keyword(s):

Antimicrobial Activity ◽

Antibacterial Activity ◽

Molecular Docking ◽

Drug Discovery ◽

Elemental Analysis ◽

Docking Studies ◽

Receptor Protein ◽

Chemical Methods ◽

Design Synthesis ◽

A new series of fluoroquinolone compounds have been obtained by Gould-Jacobs method. The compounds have been characterized by physic-chemical methods (elemental analysis, FTIR, NMR, UV-Vis) and by antimicrobial activity against Gram-positive and Gram-negative microorganisms. For the synthesized compounds have been performed calculations of characteristics and molecular properties, using Spartan�14 Software from Wavefunction, Inc. Irvine, CA. and molecular docking studies using CLC Drug Discovery Workbench 2.4 software, to identify and visualize the most likely interaction ligand (fluoroquinolone) with the receptor protein.

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TiO2-SO42- Catalyzed Synthesis and Antimicrobial Activity / Molecular Docking Studies of β-Indolylnitroalkanes

Combinatorial Chemistry & High Throughput Screening ◽

10.2174/1386207319666160315113237 ◽

2016 ◽

Vol 19 (4) ◽

pp. 290-297 ◽

Author(s):

Sarva Santhisudha ◽

Soora Harinath Jayaprakash ◽

Gundluru Mohan ◽

Yellapu Nanda Kumar ◽

Vaithiyanathan Suganthi ◽

...

Keyword(s):

Antimicrobial Activity ◽

Molecular Docking ◽

Docking Studies ◽

Molecular Docking Studies

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Three novel Cu(II), Cd(II) and Cr(III) complexes of 6−Methylpyridine−2−carboxylic acid with thiocyanate: Synthesis, crystal structures, DFT calculations, molecular docking and α-Glucosidase inhibition studies

Tetrahedron ◽

10.1016/j.tet.2018.10.054 ◽

2018 ◽

Vol 74 (50) ◽

pp. 7198-7208 ◽

Author(s):

Davut Avcı ◽

Sümeyye Altürk ◽

Fatih Sönmez ◽

Ömer Tamer ◽

Adil Başoğlu ◽

...

Keyword(s):

Molecular Docking ◽

Carboxylic Acid ◽

Dft Calculations ◽

Crystal Structures ◽

Inhibition Studies

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Correction to: A novel series of mixed-ligand M(II) complexes containing 2,2′-bipyridyl as potent α-glucosidase inhibitor: synthesis, crystal structure, DFT calculations, and molecular docking

JBIC Journal of Biological Inorganic Chemistry ◽

10.1007/s00775-021-01880-w ◽

2021 ◽

Author(s):

Davut Avcı ◽

Sümeyye Altürk ◽

Fatih Sönmez ◽

Ömer Tamer ◽

Adil Başoğlu ◽

...

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Dft Calculations ◽

Mixed Ligand ◽

Glucosidase Inhibitor

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Multicomponent Synthesis, DFT Calculations and Molecular Docking Studies of Novel Thiazolyl-Pyridazinones as Potential Antimicrobial Agents Against Antibiotic-Resistant Bacteria

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130180 ◽

2021 ◽

pp. 130180

Author(s):

Saraa Abu-Melha ◽

Zeinab A. Muhammad ◽

Amr S. Abouzid ◽

Mastoura M. Edrees ◽

Ahmed S. Abo Dena ◽

...

Keyword(s):

Molecular Docking ◽

Dft Calculations ◽

Antimicrobial Agents ◽

Docking Studies ◽

Resistant Bacteria ◽

Multicomponent Synthesis ◽

Antibiotic Resistant Bacteria ◽

Antibiotic Resistant ◽

Molecular Docking Studies

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Mechanistic insight into the binding of graphene oxide with human serum albumin: Multispectroscopic and molecular docking approach

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2021.119750 ◽

2021 ◽

pp. 119750

Author(s):

Afroz Khan ◽

Fauzia Khan ◽

Moyad Shahwan ◽

Mohd Shahnawaz Khan ◽

Fohad Mabood Husain ◽

...

Keyword(s):

Graphene Oxide ◽

Molecular Docking ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Mechanistic Insight ◽

Docking Approach ◽

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Quantum chemical studies on molecular structure, AIM, ELF, RDG and antiviral activities of hybrid hydroxychloroquine in the treatment of COVID-19: molecular docking and DFT calculations

Journal of King Saud University - Science ◽

10.1016/j.jksus.2020.101334 ◽

2021 ◽

pp. 101334

Author(s):

Olfa Noureddine ◽

Noureddine Issaoui ◽

Mouna Medimagh ◽

Omar Al-Dossary ◽

Houda Marouani

Keyword(s):

Molecular Structure ◽

Molecular Docking ◽

Dft Calculations ◽

Quantum Chemical ◽

Chemical Studies ◽

Antiviral Activities ◽

Quantum Chemical Studies

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Physicochemical properties of geopolymer composites with DFT calculations of in-situ reduction of graphene oxide

Ceramics International ◽

10.1016/j.ceramint.2021.01.202 ◽

2021 ◽

Author(s):

Amun Amri ◽

Ahmad Ainun Najib ◽

Monita Olivia ◽

Mohammednoor Altarawneh ◽

Aman Syam ◽

...

Keyword(s):

Graphene Oxide ◽

Dft Calculations ◽

Physicochemical Properties ◽

In Situ Reduction ◽

Geopolymer Composites

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