Synthesis, spectroscopic characterization, antimicrobial activity, molecular docking and DFT studies of proton transfer (H-bonded) complex of 8-aminoquinoline (donor) with chloranilic acid (acceptor)

2021 ◽  
pp. 1-15
Author(s):  
Ishaat M. Khan ◽  
Maidul Islam ◽  
Sonam Shakya ◽  
Nisat Alam ◽  
Shah Imtiaz ◽  
...  
Keyword(s):  
Antimicrobial Activity ◽  
Molecular Docking ◽  
Proton Transfer ◽  
Spectroscopic Characterization ◽  
Dft Studies ◽  
Chloranilic Acid

scholarly journals Spectroscopic characterization, antimicrobial activity and molecular docking study of novel azo-imine functionalized sulphamethoxazoles

2018 ◽  
Vol 1155 ◽  
pp. 152-164 ◽  
Author(s):  
Nilima Sahu ◽  
Sudipa Mondal ◽  
Kaushik Naskar ◽  
Ananya Das Mahapatra ◽  
Suvroma Gupta ◽  
...  
Keyword(s):  
Antimicrobial Activity ◽  
Molecular Docking ◽  
Spectroscopic Characterization ◽  
Docking Study ◽  
Molecular Docking Study

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

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 ◽  
Gram Negative

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.

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

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

Molecular docking and DFT studies of a series of tetrazole derivatives and computational studies of Fe3O4@Phenyl phosphate creatine

2021 ◽  
Vol 1238 ◽  
pp. 130389
Author(s):  
Farzane Pazoki ◽  
Razieh Esfandiarpour ◽  
Fatemeh Mohsenzadeh ◽  
Fahimeh Mohammadpanah ◽  
Akbar Heydari
Keyword(s):  
Molecular Docking ◽  
Computational Studies ◽  
Dft Studies ◽  
Phenyl Phosphate ◽  
Tetrazole Derivatives
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