Results 21 to 30 of about 19,357,515 (242)

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

Structure Features of Peptide-Type SARS-CoV Main Protease Inhibitors: Quantitative Structure Activity Relationship Study [PDF]

, 2020
In the present work, an extensive QSAR (Quantitative Structure Activity Relationships) analysis of a series of peptide-type SARS-CoV main protease (MPro) inhibitors following the OECD guidelines has been accomplished.
Vesna, Rastija, Meghshyam K., Patil, Ajaykumar, Gandhi, Vijay, Masand   +3 more
core   +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

Genetic algorithms: A tool for quantitative structure-activity relationship analyses.

, 1996
Genetic algorithms: A tool for quantitative structure-activity relationship ...
Hitesh C. Patel (7967996)
core   +6 more sources

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

Prediction of mammalian toxicity by quantitative structure-activity relationships - aliphatic amines and anilines

, 2022
S.198-204 : Abb.,Tab.Quantitative Structure-Activity Relationships (QSARs) are derived to predict oral toxicity data of aliphatic amines and anilines for rats.
Klein, W., Jäckel, H.
core   +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