Results 21 to 30 of about 2,040,439 (323)

QSAR studies for the acute toxicity of nitrobenzenes to the Tetrahymena pyriformis [PDF]

Journal of the Serbian Chemical Society, 2014
Quantitative structure-activity relationship (QSAR) models play a key role in finding the relationship between molecular structures and the toxicity of nitrobenzenes to Tetrahymena pyriformis.
Wang Dan-Dan, Feng Lin-Lin, He Guang-Yu, Chen Hai-Qun   +3 more
doaj   +1 more source

Quantitative Structure–Activity Relationship (QSAR) Study Predicts Small-Molecule Binding to RNA Structure

Journal of Medicinal Chemistry, 2021
The diversity of RNA structural elements and their documented role in human diseases make RNA an attractive therapeutic target. However, progress in drug discovery and development has been hindered by challenges in the determination of high-resolution ...
Zhengguo Cai, Martina Zafferani, O. Akande, Amanda E. Hargrove   +3 more
semanticscholar   +1 more source

Design of cinnamaldehyde amino acid Schiff base compounds based on the quantitative structure–activity relationship [PDF]

Royal Society Open Science, 2017
Cinnamaldehyde amino acid Schiff base (CAAS) is a new class of safe, bioactive compounds which could be developed as potential antifungal agents for fungal infections.
Hui Wang, Mingyue Jiang, Shujun Li, Chung-Yun Hse, Chunde Jin, Fangli Sun, Zhuo Li   +6 more
doaj   +1 more source

QSAR, QSTR, and molecular docking studies of the anti-proliferative activity of phenylpiperazine derivatives against DU145 prostate cancer cell lines

Beni-Suef University Journal of Basic and Applied Sciences, 2020
Background Prostate cancer is the most common non-cutaneous cancer in males and accounts for about 4% of all cancer-related deaths in males annually.
Fabian A. Ikwu, Gideon A. Shallangwa, Paul A. Mamza   +2 more
doaj   +1 more source

Correlation between the lipophilicity and antifungal activity of some benzoxazole derivatives [PDF]

Acta Periodica Technologica, 2010
In the present work, a quantitative relationship between the lipophilicity and antifungal activity of some benzoxazole derivatives against Candida albicans was investigated by using QSAR (quantitative structure-activity relationship) analyses.
Podunavac-Kuzmanović Sanja O., Velimirović Sonja D.   +1 more
doaj   +1 more source

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

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