Results 11 to 20 of about 1,615,291 (236)

Quantitative structure-activity relationship of some 1-benzylbenzimidazole derivatives as antifungal agents [PDF]

Acta Periodica Technologica, 2007
In the present study, the antifungal activity of some 1-benzylbenzimidazole derivatives against yeast Saccharomyces cerevisiae was investigated. The tested benzimidazoles displayed in vitro antifungal activity and minimum inhibitory concentration (MIC ...
Podunavac-Kuzmanović Sanja O., Barna Dijana J., Cvetković Dragoljub D.   +2 more
doaj   +3 more sources

Quantitative Structure Activity Relationship Models for the Antioxidant Activity of Polysaccharides. [PDF]

PLoS ONE, 2016
In this study, quantitative structure activity relationship (QSAR) models for the antioxidant activity of polysaccharides were developed with 50% effective concentration (EC50) as the dependent variable.
Zhiming Li, Kaiying Nie, Zhaojing Wang, Dianhui Luo   +3 more
doaj   +1 more source

Improving the Biological Activity Prediction of Acetylcholinesterase and Butyl Cholinesterase Inhibitors Using Nonlinear Random Forest Algorithm

مجله دانشکده پزشکی اصفهان, 2020
Background: Due to the growing population of the elderly and the increasing trend of Alzheimer's disease, evaluation of acetylcholinesterase (AChE) and butyl cholinesterase (BChE) inhibitors, as major causes of Alzheimer's disease, is essential.
Fahimeh Motamedi, Alireza mehri Mehridehnavi, Fahimeh Ghasemi   +2 more
doaj   +1 more source

Quantitative structure-activity relationship modelling of influenza M2 ion channels inhibitors [PDF]

Journal of the Serbian Chemical Society, 2021
A series of adamantane derivatives (rimantadine and amantadine) incorporating amino-acid residues are investigated by simplex representation of molecular structure (SiRMS) approach in order to found correlation between chemical structures of investigated
Stankova Ivanka G., Chayrov Radoslav L., Schmidtke Michaela, Danalev Dancho L., Ognichenko Liudmila N., Artemenko Anatoly G., Shapkin Valery A., Kuz'min Victor E.   +7 more
doaj   +1 more source

Study on Quantitative Structure - Activity Relationship of Substituted - 2 - Phenylisothiazolinones Compounds [PDF]

Cailiao Baohu, 2022
Quantitative structure - activity relationship studies the relationship between molecular structure and antibacterial activity, which can provide a theoretical basis for predicting the molecular structure of new compounds, synthesizing and designing new ...
YANG Xing, YAN Ying, ZHOU Hao, WU Laiming, CAI Lankun
doaj   +1 more source

Quantitative Structure–Activity Relationship Evaluation of MDA-MB-231 Cell Anti-Proliferative Leads

Molecules, 2021
In the present endeavor, for the dataset of 219 in vitro MDA-MB-231 TNBC cell antagonists, a (QSAR) quantitative structure–activity relationships model has been carried out.
Ajaykumar Gandhi, Vijay Masand, Magdi E. A. Zaki, Sami A. Al-Hussain, Anis Ben Ghorbal, Archana Chapolikar   +5 more
doaj   +1 more source

Calculation of Quantitative Structure-Activity Relationship Descriptors of Artemisinin Derivatives [PDF]

Mongolian Journal of Biological Sciences, 2008
Quantitative structure-activity relationships are based on the construction of predictive models using a set of known molecules and associated activity value.
Jambalsuren Bayarmaa, Vladimir Frecer
doaj   +1 more source

Development and Evaluation of Conformal Prediction Methods for Quantitative Structure–Activity Relationship [PDF]

ACS Omega
Yuting Xu, Andy Liaw, Robert P. Sheridan, Vladimir Svetnik   +3 more
doaj   +2 more sources

Synthesis, Characterization, and Antifungal Evaluation of Thiolactomycin Derivatives

Engineering, 2020
5-Substituted benzylidene 3-acylthiotetronic acids are antifungal. A series of 3-acylthiotetronic acid derivatives with varying substitutions at the 5-position were designed, synthesized, and characterized, based on the binding pose of 3-acyl thiolactone
Pei Lv, Yiliang Chen, Dawei Wang, Xiangwei Wu, Qing X. Li, Rimao Hua   +5 more
doaj   +1 more source

Application of Hansch’s Model to Capsaicinoids and Capsinoids: A Study Using the Quantitative Structure−Activity Relationship. A Novel Method for the Synthesis of Capsinoids [PDF]

, 2010
We describe a synthetic approach for two families of compounds, the capsaicinoids and capsinoids, as part of a study of the quantitative relationship between structure and ...
Appendino G., Barbero G. F., Barbero G. F., Bennett D. J., Careaga M., Chou J., Constant H. L., Gannett P. M., Hancock C. R., Henderson D. E., Iwai K., Kaga H., Kagan I. A., Kim C. S., Kobata K., Kobata K., Lipinski C. A., Macho A., Macias F. A., Mannhold R., Morris G. C., Nitsch J. P., Ohnuki K., Ohnuki K., Perucka I., Rekker R. F., Rosa A., Sancho R., Surh Y. J., Sutoh K., Torregiani E., Unnikrishnan M. C., Zewdie Y.   +32 more
core   +3 more sources