Results 11 to 20 of about 1,790,645 (373)

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

open access: yesPLoS 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   +3 more
doaj   +2 more sources

Antibacterial Properties of Polyphenols: Characterization and QSAR (Quantitative Structure–Activity Relationship) Models

open access: yesFrontiers in Microbiology, 2019
Besides their established antioxidant activity, many phenolic compounds may exhibit significant antibacterial activity. Here, the effect of a large dataset of 35 polyphenols on the growth of 6 foodborne pathogenic or food-spoiling bacterial strains ...
Lynda Bouarab-Chibane   +8 more
doaj   +2 more sources

Quantitative Structure-Activity Relationship (QSAR) Studies on the Toxic Effects of Nitroaromatic Compounds (NACs): A Systematic Review

open access: yesInternational Journal of Molecular Sciences, 2021
Nitroaromatic compounds (NACs) are ubiquitous in the environment due to their extensive industrial applications. The recalcitrance of NACs causes their arduous degradation, subsequently bringing about potential threats to human health and environmental ...
Tao Huang   +5 more
semanticscholar   +1 more source

3D-QSAR-based pharmacophore determination and design of novel DPP-4 inhibitors [PDF]

open access: yesScripta Medica, 2022
Background/Aim: Therapy of diabetes mellitus type 2 includes drugs that act as inhibitors of dipeptidyl peptidase 4 (DPP-4) enzyme. Several DPP-4 inhibitors are marketed today and although they have favourable safety profile and tolerability, they show ...
Rogić Sanja, Gagić Žarko
doaj   +1 more source

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

open access: yesJournal 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   +3 more
semanticscholar   +1 more source

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

open access: yesJournal 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   +3 more
doaj   +1 more source

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

open access: yesRoyal 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   +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

open access: yesBeni-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   +2 more
doaj   +1 more source

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

open access: yesActa 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.   +1 more
doaj   +1 more source

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

open access: yesمجله 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   +2 more
doaj   +1 more source

Home - About - Disclaimer - Privacy