scholarly journals Bis coumarinyl bis triazolothiadiazinyl ethane derivatives: Synthesis, antiviral activity evaluation, and molecular docking studies

2018 ◽  
Vol 48 (12) ◽  
pp. 1494-1503 ◽  
Author(s):  
Sreenu Pavurala ◽  
Krishnaiah Vaarla ◽  
Rajeshkumar Kesharwani ◽  
Lieve Naesens ◽  
Sandra Liekens ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Antiviral Activity ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Activity Evaluation

scholarly journals Synthesis, Molecular Docking Studies and Antifungal Activity Evaluation of New Thiazolyl-methylen-1,3,4-oxadiazolines as Potential Lanosterol 14a-demethylase Inhibitors

2019 ◽  
Vol 70 (10) ◽  
pp. 3522-3526
Author(s):  
Smaranda Oniga ◽  
Catalin Araniciu ◽  
Gabriel Marc ◽  
Livia Uncu ◽  
Mariana Palage ◽  
...  
Keyword(s):  
Candida Albicans ◽  
Molecular Docking ◽  
Antifungal Activity ◽  
Active Site ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Activity Evaluation ◽  
Lanosterol Demethylase ◽  
Target Enzyme

Considering the well-established antifungal activity of azole compounds, a new series of thiazolyl-methylen-1,3,4-oxadiazolines derivatives were designed and synthesized as lanosterol-demethylase inhibitors. The final compounds were screened for antifungal activity against the Candida albicans ATCC 90028 strain. Molecular docking studies were performed to investigate the interaction modes between the compounds and the active site of lanosterol 14a-demethylase, which is a target enzyme for anticandidal azoles. Theoretical ADME predictions were also calculated for the final compounds 5a-h.

New Ribonucleosides with Surrogate Bases: Synthesis, Enzymology, Molecular Docking Studies and Antiviral Activity

2007 ◽  
Vol 74 (3) ◽  
pp. A74-A74 ◽  
Author(s):  
V NAIR ◽  
X MA ◽  
F ZHANG ◽  
M NISHONOV ◽  
Q SHU ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Antiviral Activity ◽  
Docking Studies ◽  
Molecular Docking Studies

Synthesis, biological activity evaluation and molecular docking studies of novel coumarin substituted thiazolyl-3-aryl-pyrazole-4-carbaldehydes

2015 ◽  
Vol 25 (24) ◽  
pp. 5797-5803 ◽  
Author(s):  
Krishnaiah Vaarla ◽  
Rajesh Kumar Kesharwani ◽  
Karnewar Santosh ◽  
Rajeswar Rao Vedula ◽  
Srigiridhar Kotamraju ◽  
...  
Keyword(s):  
Biological Activity ◽  
Molecular Docking ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Activity Evaluation

DNA binding, crystal structure, molecular docking studies and anticancer activity evaluation of a copper(II) complex

2018 ◽  
Vol 43 (3) ◽  
pp. 259-271 ◽  
Author(s):  
Ya-Xian Liu ◽  
Hui-Wen Mo ◽  
Zhen-Yu Lv ◽  
Fang Shen ◽  
Chun-Lian Zhang ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Molecular Docking ◽  
Dna Binding ◽  
Anticancer Activity ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Activity Evaluation

Functionalized imidazolium-based ionic liquids: biological activity evaluation, toxicity screening, spectroscopic, and molecular docking studies

2020 ◽  
Vol 29 (12) ◽  
pp. 2181-2191
Author(s):  
Maria M. Trush ◽  
Ivan V. Semenyuta ◽  
Diana Hodyna ◽  
Alla D. Ocheretniuk ◽  
Sergey I. Vdovenko ◽  
...  
Keyword(s):  
Biological Activity ◽  
Ionic Liquids ◽  
Molecular Docking ◽  
Docking Studies ◽  
Toxicity Screening ◽  
Molecular Docking Studies ◽  
Activity Evaluation
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