Results 91 to 100 of about 2,040,439 (323)

Multi-task learning with a natural metric for quantitative structure activity relationship learning

Journal of Cheminformatics, 2019
The goal of quantitative structure activity relationship (QSAR) learning is to learn a function that, given the structure of a small molecule (a potential drug), outputs the predicted activity of the compound.
Noureddin M. Sadawi, I. Olier, J. Vanschoren, Jan N. van Rijn, J. Besnard, Richard Bickerton, C. Grosan, L. Soldatova, R. King   +8 more
semanticscholar   +1 more source

Plecstatin inhibits hepatocellular carcinoma tumorigenesis and invasion through cytolinker plectin

Molecular Oncology, EarlyView.
The ruthenium‐based metallodrug plecstatin exerts its anticancer effect in hepatocellular carcinoma (HCC) primarily through selective targeting of plectin. By disrupting plectin‐mediated cytoskeletal organization, plecstatin inhibits anchorage‐dependent growth, cell polarization, and tumor cell dissemination.
Zuzana Outla, Jan Kosla, Magdalena Prechova, Lukas Frick, Patricia Bortel, Yasmin Borutzki, Andrea Bileck, Christopher Gerner, Samuel M. Meier‐Menches, Selma Osmanagic‐Myers, Martin Gregor   +10 more
wiley   +1 more source

The effects of cinnamaldehyde and eugenol on human adipose-derived mesenchymal stem cells viability, growth and differentiation: a cheminformatics and in vitro study [PDF]

Avicenna Journal of Phytomedicine, 2016
Objective: The aim of this study was to estimate the cheminformatics and qualitative structure-activity relationship (QSAR) of cinnamaldehyde and eugenol.
Abdorrahim Absalan, Seyed Alireza Mesbah-Namin, Taki Tiraihi, Taher Taheri   +3 more
doaj   +1 more source

Modeling of the Acute Toxicity of Benzene Derivatives by Complementary QSAR Methods [PDF]

, 2013
A data set containing acute toxicity values (96-h LC50) of 69 substituted benzenes for fathead minnow (Pimephales promelas) was investigated with two Quantitative Structure- Activity Relationship (QSAR) models, either using or not using molecular ...
Bertinetto, Carlo, Duce, Celia, Héberger, Károly, Solaro, Roberto   +3 more
core  

Dammarenediol II enhances etoposide‐induced apoptosis by targeting O‐GlcNAc transferase and Akt/GSK3β/mTOR signaling in liver cancer

Molecular Oncology, EarlyView.
Etoposide induces DNA damage, activating p53‐dependent apoptosis via caspase‐3/7, which cleaves PARP1. Dammarenediol II enhances this apoptotic pathway by suppressing O‐GlcNAc transferase activity, further decreasing O‐GlcNAcylation. The reduction in O‐GlcNAc levels boosts p53‐driven apoptosis and influences the Akt/GSK3β/mTOR signaling pathway ...
Jaehoon Lee, Byung‐Cheol Han, Gi‐Bang Koo, Jihye Park, Mijin Kwon, Young Bin Park, Jae‐Mun Choi, Seung‐Ho Lee, Sangho Roh   +8 more
wiley   +1 more source

Water quality assessment, trophic classification and water resources management [PDF]

, 2010
Quantification of water quality (WQ) is an integral part of scientifically based water resources management. The main objective of this study was comparative analysis of two approaches applied for quantitative assessment of WQ: the trophic level index ...
Gal, Gideon, Hamilton, David P., Kasprzak, Peter, Ostapenia, Alexandr, Parparov, Arkadi   +4 more
core   +2 more sources

Correlation of the differential expression of PIK3R1 and its spliced variant, p55α, in pan‐cancer

Molecular Oncology, EarlyView.
PIK3R1 undergoes alternative splicing to generate the isoforms, p85α and p55α. By combining large patient datasets with laboratory experiments, we show that PIK3R1 spliced variants shape cancer behavior. While tumors lose the protective p85α isoform, p55α is overexpressed, changes linked to poorer survival and more pronounced in African American ...
Ishita Gupta, Yang Song, Madeleine Ndahayo, Anirudh Saxena, Theresa Guo, Dylan Z. Kelley, Jessica Gore, Andrew Hennigan, Alexa Anderson, John C. Papadimitriou, Daria A. Gaykalova   +10 more
wiley   +1 more source

Molecular docking and quantitative structure-activity relationship study of anticonvulsant activity of aminobenzothiazole derivatives

Beni-Suef University Journal of Basic and Applied Sciences, 2018
In silico studies which include Quantitative structure-activity relationship (QSAR) and molecular docking studies were carried out on the 37 amino-benzothiazole derivatives (anticonvulsant agents).
Usman Abdulfatai, Adamu Uzairu, Sani Uba
doaj   +1 more source

Empirical analysis of the integration activity of business structures in the regions of Russia [PDF]

, 2015
The article investigates the integration activity of business structures in the regions of Russia. A wide variety of approaches to study the problems and prospects of economic integration and the current dispute on the role of integration processes in ...
Karelina, M. G.
core   +4 more sources

A general model for analysis of linear and hyperbolic enzyme inhibition mechanisms

FEBS Open Bio, EarlyView.
We developed a general enzyme kinetic model that integrates these six basic inhibition mechanism onto a single one. From this model, we deduced a general enzyme kinetic equation that through modulation of simple parameters, γ (the relative inhibitor affinity for two binding sites) and β (the reactivity of the enzyme–substrate–inhibitor complex), is ...
Rafael S. Chagas, Sandro R. Marana
wiley   +1 more source