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QSAR models for the fumigant activity prediction of essential oils
(Elsevier Science Inc., 2020-12)
The Quantitative Structure-Activity Relationships (QSAR) theory, which allows predicting the insecticidal activity of chemical compounds through calculations from the molecular structure, is applied on 23 essential oils ...
Alternative QSAR Study for Unsymmetrical Aromatic Disulfide Anti-SARS Inhibitors
(IGI Global, 2021-04)
This work applied the quantitative structure-activity relationships (QSAR) theory to predict theinhibitory activity exhibited by 40 unsymmetrical aromatic disulfide compounds against the SARSCoVmain protease. Different ...
QSAR analysis of nicotinamidic compounds and design of potential Bruton’s tyrosine kinase (Btk) inhibitors
(Taylor and Francis Online, 2018)
Relation between antioxidant activity and electronic structure of Phenols
(Wiley-Blackwell, 2014)
Quantitative Structure-Antifungal Activity Relationships for Cinnamate Derivatives
(Elsevier, 2015-09)
Quantitative Structure-Activity Relationships (QSAR) are established with the aim of analyzing the fungicidal activities of a set of 27 active cinnamate derivatives. The exploration of more than a thousand of constitutional, ...
In vitro activity of natural phenolic compounds against fluconazole-resistant Candida species: a quantitative structure–activity relationship analysis
(Wiley, 2014-01)
Aims: To evaluate the antifungal activity and to analyse the structure–activity relationship of eleven natural phenolic compounds against four Candida species which are resistant to fluconazole. Methods and Results: Four ...
Three-Dimensional Quantitative Structure-Activity Relationships (3D-QSAR) on a Series of Piperazine-Carboxamides Fatty Acid Amide Hydrolase (FAAH) Inhibitors as a Useful Tool for the Design of New Cannabinoid Ligands
(2019)
Fatty Acid Amide Hydrolase (FAAH) is one of the main enzymes responsible for endocannabinoid metabolism. Inhibition of FAAH increases endogenous levels of fatty acid ethanolamides such as anandamide (AEA) and thus consitutes ...
Synthesis, anti-parasitic activity and QSAR study of a new library of polysubstituted tetrahydronaphtho[1,2-b]azepines
(Birkhauser Boston Inc, 2018-10)
A new series of twenty two 2-exo-aryl(heteroaryl)-1,4-epoxytetrahydronaphtho[1,2-b]azepines 8–10 and eighteen cis-2-aryl(heteroaryl)-4-hydroxytetrahydronaphtho[1,2-b]azepines 11–13 were synthesized, and most of them were ...