Results 91 to 100 of about 167,809 (296)

Ecdysteroids: A novel class of anabolic agents? [PDF]

, 2015
Increasing numbers of dietary supplements with ecdysteroids are marketed as “natural anabolic agents”. Results of recent studies suggested that their anabolic effect is mediated by estrogen receptor (ER) binding. Within this study the anabolic potency of
BOTRE', Francesco, Parr, M. K.,  Diel, P,  Hengevoss, J.,  Naß, A,  Wolber G.   +5 more
core   +2 more sources

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

In Silico 3D Modeling of Binding Activities

, 2016
In silico three-dimensional (3D) molecular modeling tools based upon the receptor/enzyme-ligand docking simulation in protein crystal structures and/or homology modeling of receptors have been reliably used in pharmacological research and development for decades.
MORO, STEFANO, STURLESE, MATTIA, CIANCETTA, ANTONELLA, Floris, Matteo   +3 more
openaire   +4 more sources

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

Edge usage, motifs and regulatory logic for cell cycling genetic networks

, 2013
The cell cycle is a tightly controlled process, yet its underlying genetic network shows marked differences across species. Which of the associated structural features follow solely from the ability to impose the appropriate gene expression patterns?
Krzywicki, A., Martin, O. C., Zagorski, M.   +2 more
core   +3 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

Physicochemical Exploration and Computational Analysis of Bone After Subchronic Exposure to Kalach 360 SL in Female Wistar Rats

Toxics
Glyphosate (N-phosphonomethylglycine) is a widely used organophosphorus herbicide that inhibits the shikimate pathway, a crucial metabolic route responsible for the synthesis of aromatic amino acids in plants and certain microorganisms.
Latifa Hamdaoui, Hafedh El Feki, Marwa Ben Amor, Hassane Oudadesse, Riadh Badraoui, Naila Khalil, Faten Brahmi, Saoussen Jilani, Bandar Aloufi, Ibtissem Ben Amara, Tarek Rebai   +10 more
doaj   +1 more source

Identifying and Prioritizing Chemicals with Uncertain Burden of Exposure: Opportunities for Biomonitoring and Health-Related Research. [PDF]

, 2019
BackgroundThe National Institutes of Health's Environmental influences on Child Health Outcomes (ECHO) initiative aims to understand the impact of environmental factors on childhood disease. Over 40,000 chemicals are approved for commercial use.
(Environmental influences on Child Health Outcomes), Beamer, Paloma I, Bennett, Deborah H, Boyles, Rebecca R, Buckley, Jessie P, Kannan, Kurunthachalam, Pellizzari, Edo D, Wang, Aolin, Woodruff, Tracey J, Zhu, Yeyi   +9 more
core  

Methods for the Development of In Silico GPCR Models [PDF]

, 2017
The Reggio group has constructed computer models of the inactive and G-protein-activated states of the cannabinoid CB1 and CB2 receptors, as well as, several orphan receptors that recognize a subset of cannabinoid compounds, including GPR55 and GPR18. These models have been used to design ligands, mutations, and covalent labeling studies. The resultant
Paula, Morales, Dow P, Hurst, Patricia H, Reggio   +2 more
openaire   +2 more sources

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