Results 11 to 20 of about 322,559 (240)

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

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

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

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