Molecules, 2021 The assertion made by Wu et al. that aromaticity may have considerable implications for molecular design motivated us to use nucleus-independent chemical shifts (NICS) as an aromaticity criterion to evaluate the antifungal activity of two series of indol-
María de los Ángeles Zermeño-Macías +7 more
doaj +1 more source
The use of a quantitative structure-activity relationship (QSAR) model to predict GABA-A receptor binding of newly emerging benzodiazepines [PDF]
, 2018 The illicit market for new psychoactive substances is forever expanding. Benzodiazepines and their derivatives are one of a number of groups of these substances and thus far their number has grown year upon year.
Haegeman, Caroline +4 more
core +5 more sources
Quantitative Structure Activity Relationship Studies of 4-Methyl-2-(p-Substitutedphenyl) Quinoline Derivatives as Potential Antifungal Agents [PDF]
, 2017 This research article reports the synthesis of a series of 4-methyl-2-(p-substitutedphenyl)quinoline derivatives which display potent antifungal activities.
Chourasia, S. S. (S) +2 more
core +1 more source
ACS Omega, 2018 Quantitative structure–activity relationship (QSAR) models have long been used for making predictions and data gap filling in diverse fields including medicinal chemistry, predictive toxicology, environmental fate modeling, materials science ...
K. Roy, Pravin Ambure, S. Kar
semanticscholar +1 more source
Mutagenesis, 2018 The International Conference on Harmonization (ICH) M7 guideline allows the use of in silico approaches for predicting Ames mutagenicity for the initial assessment of impurities in pharmaceuticals. This is the first international guideline that addresses
M. Honma +29 more
semanticscholar +1 more source
Development of eye colors in Drosophila: some properties of the hormones concerned [PDF]
, 1938 The substance inducing the production of pigment in the eyes of vermilion brown mutants of Drosophila melanogaster has been shown to be a relatively stable chemical entity possessing true hormone-like activity.
Beadle, G. W., Tatum, Edward L.
core +2 more sources
Quantitative Structure Activity Relationship of Cinnamaldehyde Compounds against Wood-Decaying Fungi
Molecules, 2016 Cinnamaldehyde, of the genius Cinnamomum, is a major constituent of the bark of the cinnamon tree and possesses broad-spectrum antimicrobial activity.
Dongmei Yang +3 more
doaj +1 more source
Structure-activity relationships based on 3D-QSAR CoMFA/CoMSIA and design of aryloxypropanol-amine agonists with selectivity for the human β3-adrenergic receptor and anti-obesity and anti-diabetic profiles [PDF]
, 2018 Indexación: Scopus.Acknowledgments: This work was supported by FONDECYT No. 11130701. We would also like to thank fDoTr CthLeafbr efeora vthaeil afrbeilei tayvoafiltahbeilsitoyf towfa trheer seoqfutwireadret orecqaulciureladt etothcealAcuDla(thet ttph:e/
Andrades-Lagos, J. +7 more
core +2 more sources
Docking and QSAR Studies of Camptothecin Derivatives as Inhibitor of DNA Topoisomerase-I [PDF]
, 2011 Camptothecin (CPT) is a cytotoxic quinoline alkaloid which inhibits the DNA enzyme Topoisomerase-I (Topo-I) and has shown remarkable anticancer activity in preliminary clinical trials. The major limitation is its low solubility and high adverse reaction.
Dharmendra K. Yadav +2 more
core +2 more sources