Results 91 to 100 of about 170,795 (287)

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

Artificial Intelligence and Machine Learning Methods to Evaluate Cardiotoxicity following the Adverse Outcome Pathway Frameworks

Toxics
Cardiovascular disease is a leading global cause of mortality. The potential cardiotoxic effects of chemicals from different classes, such as environmental contaminants, pesticides, and drugs can significantly contribute to effects on health.
Edoardo Luca Viganò, Davide Ballabio, Alessandra Roncaglioni   +2 more
doaj   +1 more source

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

Coupled In Silico Toxicology Models Reveal Equivalent Ecological Risks from BPA and Its Alternatives in Chinese Surface Waters

Toxics
As bisphenol A (BPA) has gradually become restricted in production scenarios, the ecological risk level of its main replacement chemicals, i.e., bisphenol S (BPS) and bisphenol F (BPF), should be noted.
Jiawei Zhang, Jingzi Xiao, Huanyu Tao, Mengtao Zhang, Lu Lu, Changbo Qin   +5 more
doaj   +1 more source

Directed evolution of enzymes at the crossroads of tradition and innovation

FEBS Open Bio, EarlyView.
An iterative cycle of data‐driven enzyme optimization comprising four stages: genetic diversification of a template enzyme, expression of protein variants, high‐throughput evaluation, and machine‐learning‐guided redesign of the next variant library.
Maria Tomkova, Andrej Mirossay, Erik Sedlak   +2 more
wiley   +1 more source

Combining Mathematical Models With Experimentation to Drive Novel Mechanistic Insights Into Macrophage Function

Frontiers in Immunology, 2019
This perspective outlines an approach to improve mechanistic understanding of macrophages in inflammation and tissue homeostasis, with a focus on human inflammatory bowel disease (IBD).
Joanneke E. Jansen, Joanneke E. Jansen, Eamonn A. Gaffney, Jonathan Wagg, Mark C. Coles   +4 more
doaj   +1 more source

In silico protein modeling

, 2014
EXCLI Journal ; Vol.
Gupta, Chhedi Lal, Akhtar, Salman, Bajpai, Bajpai   +2 more
openaire   +2 more sources

Ensuring confidence in predictions: A scheme to assess the scientific validity of in silico models

The use of in silico tools within the drug development process to predict a wide range of properties including absorption, distribution, metabolism, elimination and toxicity has become increasingly important due to changes in legislation and both ethical
Pastor, M, Steger-Hartmann, T, Munoz-Muriendas, J, Hewitt, M, Pognan, F, Cronin, MTD, Ellison, CM, Madden, JC   +7 more
core   +1 more source

In silico models for dynamic connected cell cultures mimicking hepatocyte-endothelial cell-adipocyte interaction circle. [PDF]

, 2014
The biochemistry of a system made up of three kinds of cell is virtually impossible to work out without the use of in silico models. Here, we deal with homeostatic balance phenomena from a metabolic point of view and we present a new computational model ...
Carmelo De Maria (674948), Francesca Montemurro (674949), ANDREONI, CHIARA, VOZZI, GIOVANNI, Giovanni Vozzi (674950), Carmelo De Maria, Giovanni Vozzi, Francesca Montemurro, Gianni Orsi, DE MARIA, CARMELO, Chiara Andreoni, Chiara Andreoni (674946), ORSI, GIANNI, Gianni Orsi (674947), MONTEMURRO, FRANCESCA   +14 more
core   +1 more source

Molecular characterization of covRS mutations in M1UK Streptococcus pyogenes

FEBS Open Bio, EarlyView.
Group A Streptococcus (GAS) acquires covRS mutations driving a hypervirulent bacterial state, frequently associated with invasive disease‐like necrotizing fasciitis. We demonstrate that the newly emerged M1UK GAS lineage can also acquire these mutations.
Jarrad Pritchard, Emma‐Jayne Proctor, Jiawa Wang, Nikolas P. Johnston, Andrew Hayes, Georgia McCorkell, Haibo Yu, Jai Tree, Mark R. Davies, Mark J. Walker, Ronald Sluyter, Stephan Brouwer, Martina L. Sanderson‐Smith   +12 more
wiley   +1 more source