Homology modeling and docking studies of Comamonas testosteroni B-356 biphenyl-2,3-dioxygenase involved in degradation of polychlorinated biphenyls

2010 ◽  
Vol 46 (1) ◽  
pp. 47-53 ◽  
Author(s):  
M.S. Baig ◽  
N. Manickam
Keyword(s):  
Polychlorinated Biphenyls ◽  
Homology Modeling ◽  
Docking Studies ◽  
Comamonas Testosteroni

Homology modeling and molecular docking studies of Drosophila and Aedes sex peptide receptors

2016 ◽  
Vol 66 ◽  
pp. 115-122 ◽  
Author(s):  
Jeong-hyun Kim ◽  
Soo-Kyung Kim ◽  
Jae-Hyuk Lee ◽  
Young-Joon Kim ◽  
William A. Goddard ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Homology Modeling ◽  
Docking Studies ◽  
Peptide Receptors ◽  
Molecular Docking Studies ◽  
Sex Peptide

Homology modeling, molecular dynamics, and molecular docking studies of Trichomonas vaginalis carbamate kinase

2011 ◽  
Vol 21 (8) ◽  
pp. 2105-2116 ◽  
Author(s):  
Palani Kirubakaran ◽  
Karthikeyan Muthusamy ◽  
Kh. Dhanachandra Singh ◽  
Selvaraman Nagamani
Keyword(s):  
Molecular Dynamics ◽  
Molecular Docking ◽  
Homology Modeling ◽  
Trichomonas Vaginalis ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Carbamate Kinase

scholarly journals Combined Pharmacophore Modeling, 3D-QSAR, Homology Modeling and Docking Studies on CYP11B1 Inhibitors

Molecules ◽  
2015 ◽  
Vol 20 (1) ◽  
pp. 1014-1030 ◽  
Author(s):  
Rui Yu ◽  
Juan Wang ◽  
Rui Wang ◽  
Yong Lin ◽  
Yong Hu ◽  
...  
Keyword(s):  
Homology Modeling ◽  
3D Qsar ◽  
Pharmacophore Modeling ◽  
Docking Studies

scholarly journals Synthesis, Antimicrobial Screening, Homology Modeling, and Molecular Docking Studies of a New Series of Schiff Base Derivatives as Prospective Fungal Inhibitor Candidates

Molecules ◽  
2019 ◽  
Vol 24 (18) ◽  
pp. 3250 ◽  
Author(s):  
Yahya Toubi ◽  
Farid Abrigach ◽  
Smaail Radi ◽  
Faiza Souna ◽  
Abdelkader Hakkou ◽  
...  
Keyword(s):  
Schiff Base ◽  
Homology Modeling ◽  
Condensation Reaction ◽  
Docking Studies ◽  
Antifungal Effect ◽  
1H And 13C Nmr ◽  
Schiff Base Derivatives ◽  
Ft Ir ◽  
Antibacterial And Antifungal

Twelve new Schiff base derivatives have been prepared by the condensation reaction of different amino substituted compounds (aniline, pyridin-2-amine, o-toluidine, 2-nitrobenzenamine, 4-aminophenol, and 3-aminopropanol) and substituted aldehydes such as nicotinaldehyde, o,m,p-nitrobenzaldehyde, and picolinaldehyde in ethanol using acetic acid as a catalyst. The envisaged structures of the all the synthesized ligands have been confirmed on the basis of their spectral analysis FT-IR, mass spectroscopy, 1H- and 13C-NMR. In vitro screening of their antibacterial and antifungal potential against Escherichia coli bacterium and Fusarium oxysporum f.sp albedinis (F.o.a) fungus, respectively, revealed that all the ligands showed no significant antibacterial activity, whereas most of them displayed good antifungal activity. Homology modeling and docking analysis were performed to explain the antifungal effect of the most and least active compound against two F.o.a fungus proteins.

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