A machine learning approach in predicting mosquito repellency of plant – derived compounds
Nova Biotechnologica et Chimica, 2018 The increasing prevalence of mosquito – borne diseases has prompted intensified efforts in the prevention of being bitten by the vector. Among the various strategies of vector control, the application of repellents provides instant and effective ...
Janairo Jose Isagani B. +2 more
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Prediction of the inhibitory activity of benzimidazole derivatives against Bacillus spp. [PDF]
Acta Periodica Technologica, 2011 In the present paper, the antibacterial activity of some 1-benzylbenzimidazole derivatives was evaluated against Gram-positive bacteria Bacillus spp. by using QSAR (quantitative structure-activity relationship). The tested compounds displayed in vitro
Podunavac-Kuzmanovića Sanja O. +2 more
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Quantitative structure–activity relationship based modeling of substituted indole Schiff bases as inhibitor of COX-2 [PDF]
, 2013 We have performed the quantitative structure activity relationship (QSAR) study for N-1 and C-3 substituted indole shiff bases to understand the structural features that influence the inhibitory activity toward the cyclooxygenase-2 (COX-2) enzyme.
Dwivedi, Amrita +2 more
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Quantitative structure-activity relationships to predict antibacterial effect of some benzimidazole derivatives [PDF]
Acta Periodica Technologica, 2008 The antibacterial activity of some substituted benzimidazole derivatives against Gram negative bacteria Escherichia coli was investigated. The tested compounds displayed in vitro inhibitory activity and their minimum inhibitory concentrations were ...
Podunavac-Kuzmanović Sanja O. +2 more
doaj +1 more source
Chemosensors, 2023 The development of organelle-specific fluorescent probes has been impeded by the absence of a comprehensive understanding of the relationship between the physicochemical properties of fluorescent probes and their selectivity towards specific organelles ...
Seong-Hyeon Park +4 more
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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
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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
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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
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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
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