Phloroglucinol derivatives as anti-tumor agents: synthesis, biological activity evaluation and molecular docking studies

2021 ◽  
Author(s):  
Fuli Zhang ◽  
Qingfu Lai ◽  
Weihong Lai ◽  
Ming Li ◽  
Xiaobao Jin ◽  
...  
Keyword(s):  
Biological Activity ◽  
Molecular Docking ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Activity Evaluation ◽  
Phloroglucinol Derivatives

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

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

Structural, QSAR, machine learning and molecular docking studies of 5-thiophen-2-yl pyrazole derivatives as potent and selective cannabinoid-1 receptor antagonists

2021 ◽  
Author(s):  
Riad Hanachi ◽  
Ridha Ben Said ◽  
Hamza Allal ◽  
Seyfeddine Rahali ◽  
Mohammed A. M. Alkhalifah ◽  
...  
Keyword(s):  
Machine Learning ◽  
Biological Activity ◽  
Molecular Docking ◽  
Theoretical Analysis ◽  
Structural Study ◽  
Docking Studies ◽  
Pyrazole Derivatives ◽  
Molecular Docking Studies ◽  
Cannabinoid 1 Receptor ◽  
Chemical Descriptors

We performed a structural study followed by a theoretical analysis of the chemical descriptors and the biological activity of a series of 5-thiophen-2-yl pyrazole derivatives as potent and selective Cannabinoid-1...

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.

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, Antimalarial Activity, and Docking Studies of Monocarbonyl Analogues of Curcumin

2018 ◽  
Vol 29 (2) ◽  
pp. 92-96
Author(s):  
Amina S. Yusuf ◽  
Ibrahim Sada ◽  
Yusuf Hassan ◽  
Temitope O. Olomola ◽  
Christiana M. Adeyemi ◽  
...  
Keyword(s):  
Biological Activity ◽  
Molecular Docking ◽  
Antimalarial Activity ◽  
Docking Studies ◽  
Aryl Ring ◽  
Molecular Docking Studies ◽  
Plasmodium Parasite

Abstract The synthesis of five monocarbonyl analogues of curcumin is described. In vitro anti-malarial assay of the compounds was carried out and the effect of the substituents on the aryl ring has been described. The results show that all the five compounds exhibited some reasonable activity against the chloroquine-resistant plasmodium parasite. Molecular docking studies further confirmed the observed biological activity of the compounds.

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