Results 81 to 90 of about 700,727 (353)

Credibility assessment of a mechanistic model of atherosclerosis to predict cardiovascular outcomes under lipid-lowering therapy

npj Digital Medicine
Demonstrating cardiovascular (CV) benefits with lipid-lowering therapy (LLT) requires long-term randomized clinical trials (RCTs) with thousands of patients. Innovative approaches such as in silico trials applying a disease computational model to virtual
Yishu Wang, Eulalie Courcelles, Emmanuel Peyronnet, Solène Porte, Alizée Diatchenko, Evgueni Jacob, Denis Angoulvant, Pierre Amarenco, Franck Boccara, Bertrand Cariou, Guillaume Mahé, Philippe Gabriel Steg, Alexandre Bastien, Lolita Portal, Jean-Pierre Boissel, Solène Granjeon-Noriot, Emmanuelle Bechet   +16 more
doaj   +1 more source

Digital twins to accelerate target identification and drug development for immune‐mediated disorders

FEBS Open Bio, EarlyView.
Digital twins integrate patient‐derived molecular and clinical data into personalised computational models that simulate disease mechanisms. They enable rapid identification and validation of therapeutic targets, prediction of drug responses, and prioritisation of candidate interventions.
Anna Niarakis, Philippe Moingeon
wiley   +1 more source

Characterization of anti-leukemia components from Indigo naturalis using comprehensive two-dimensional K562/cell membrane chromatography and in silico target identification. [PDF]

, 2016
Traditional Chinese Medicine (TCM) has been developed for thousands of years and has formed an integrated theoretical system based on a large amount of clinical practice.
Cao, Yan, Chai, Yifeng, Chen, Xiaofei, Dan, Jia, Diao, Yong, Gao, Shouhong, Guo, Zhiying, Wu, Xunxun, Zerbe, Philipp, Zhang, Lei   +9 more
core   +1 more source

Identifying transcription factors controlling the basal expression of human MRP4 highlights a substantial role for Sp1

FEBS Open Bio, EarlyView.
The MRP4 transporter exports several drugs and signaling molecules. Here, we identified key promoter elements regulating basal MRP4 expression. Using reporter assays, we defined a conserved region with essential Sp1 and contributory Ets sites, which controlled basal MRP4 expression.
Debora Singer, Angelique Kragl, Katrin Ziems, Juliane Glaubitz, Sophie Grammbauer, Susanne Hildebrandt, Mladen V. Tzvetkov, Gabriele Jedlitschky   +7 more
wiley   +1 more source

Shear stress induces endothelial-to-mesenchymal transition via the transcription factor Snail

Scientific Reports, 2017
Blood flow influences atherosclerosis by generating wall shear stress, which alters endothelial cell (EC) physiology. Low shear stress induces dedifferentiation of EC through a process termed endothelial-to-mesenchymal transition (EndMT).
Marwa M. Mahmoud, Jovana Serbanovic-Canic, Shuang Feng, Celine Souilhol, Rouyu Xing, Sarah Hsiao, Akiko Mammoto, Jing Chen, Markus Ariaans, Sheila E. Francis, Kim Van der Heiden, Victoria Ridger, Paul C. Evans   +12 more
doaj   +1 more source

KnowTox: pipeline and case study for confident prediction of potential toxic effects of compounds in early phases of development

Journal of Cheminformatics, 2020
Risk assessment of newly synthesised chemicals is a prerequisite for regulatory approval. In this context, in silico methods have great potential to reduce time, cost, and ultimately animal testing as they make use of the ever-growing amount of available
Andrea Morger, Miriam Mathea, Janosch H. Achenbach, Antje Wolf, Roland Buesen, Klaus-Juergen Schleifer, Robert Landsiedel, Andrea Volkamer   +7 more
doaj   +1 more source

Metabolic modeling and analysis of the metabolic switch in Streptomyces coelicolor [PDF]

, 2010
Background The transition from exponential to stationary phase in Streptomyces coelicolor is accompanied by a major metabolic switch and results in a strong activation of secondary metabolism.
Alam, Mohammad T., Breitling, Rainer, HASH(0x55aa09327868), Hodgson, D. A., Merlo, Maria E., Takano, Eriko, Wellington, E. M. H.   +6 more
core   +10 more sources

Molecular dynamics simulations of positively selected codons in FcγRI reveal novel biochemical binding properties

FEBS Open Bio, EarlyView.
Evolutionary analysis across 32 placental mammals identified positive selection at residues H148 and W149 in the immune receptor FcγR1. Ancestral reconstruction combined with molecular dynamics simulations reveals how these mutations may influence receptor structure and dynamics, providing insight into the evolution of antibody recognition and immune ...
David A. Young, Omar Arias‐Gaguancela, Fiona Gibson, Morgan Grainger, Jodie Score, Amit Nathubhai, Mauricio Cafiero, Lee Richard Machado   +7 more
wiley   +1 more source

In Silico Voting Experiments [PDF]

This paper presents computer simulations of voting rules: Plurality rule, Approval voting and the Copeland and Borda rules, with voters voting sincerly or strategically.
Jean-François Laslier
core  

5-Hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-6- (3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one [PDF]

, 2018
Natural and semi-synthetic compounds are being studied as novel phosphodiesterase 5 (PDE5) inhibitors for the treatment of erectile dysfunction, pulmonary hypertension, and lower urinary symptoms.
Ongaro, Alberto, Ribaudo, Giovanni, Zagotto, Giuseppe   +2 more
core   +1 more source