Results 101 to 110 of about 551,885 (316)

Gut microbiome and aging—A dynamic interplay of microbes, metabolites, and the immune system

FEBS Letters, EarlyView.
Age‐dependent shifts in microbial communities engender shifts in microbial metabolite profiles. These in turn drive shifts in barrier surface permeability of the gut and brain and induce immune activation. When paired with preexisting age‐related chronic inflammation this increases the risk of neuroinflammation and neurodegenerative diseases.
Aaron Mehl, Eran Blacher
wiley   +1 more source

Acceleration of Coarse Grain Molecular Dynamics on GPU Architectures [PDF]

, 2013
Coarse grain (CG) molecular models have been proposed to simulate complex sys- tems with lower computational overheads and longer timescales with respect to atom- istic level models.
Acquaviva*, Andrea, FICARRA, ELISA, ACQUAVIVA, ANDREA, Enrico Macii, Andrea Acquaviva, Elisa Ficarra, SHKURTI, ARDITA, Ardita Shkurti, Macii, Enrico, Ficarra*, Elisa, Mario Orsi, Orsi, Mario   +11 more
core   +1 more source

Testing the predictive power of reverse screening to infer drug targets, with the help of machine learning

Communications Chemistry
Estimating protein targets of compounds based on the similarity principle—similar molecules are likely to show comparable bioactivity—is a long-standing strategy in drug research. Having previously quantified this principle, we present here a large-scale
Antoine Daina, Vincent Zoete
doaj   +1 more source

Valosin‐containing protein counteracts ATP‐driven dissolution of FUS condensates through its ATPase activity in vitro

FEBS Letters, EarlyView.
Biomolecular condensates formed by fused in sarcoma (FUS) are dissolved by high ATP concentrations yet persist in cells. Using a reconstituted system, we demonstrate that valosin‐containing protein (VCP), an AAA+ ATPase, counteracts ATP‐driven dissolution of FUS condensates through its D2 ATPase activity.
Hitomi Kimura, Shin‐ichi Tate, Kyota Yasuda   +2 more
wiley   +1 more source

Study of protein complexes via homology modeling, applied to cysteine proteases and their protein inhibitors: [PDF]

, 2011
This paper develops and evaluates large-scale calculation of 3D structures of protein complexes by homology modeling as a promising new approach for protein docking.
Özlem Tastan Bishop, Kroon, Matthys, Tastan Bishop, Özlem, Matthys Kroon   +3 more
core   +1 more source

A network property necessary for concentration robustness

Nature Communications, 2016
Absolute concentration robustness (ACR), independence of the steady-state concentration of a molecule from the environment, is difficult to predict.
Jeanne M. O. Eloundou-Mbebi, Anika Küken, Nooshin Omranian, Sabrina Kleessen, Jost Neigenfind, Georg Basler, Zoran Nikoloski   +6 more
doaj   +1 more source

Diversity and complexity in neural organoids

FEBS Letters, EarlyView.
Neural organoid research aims to expand genetic diversity on one side and increase tissue complexity on the other. Chimeroids integrate multiple donor genomes within single organoids. Self‐organising multi‐identity organoids, exogenous cell seeding, or enforced assembly of region‐specific organoids contribute to tissue complexity.
Ilaria Chiaradia, Madeline A. Lancaster
wiley   +1 more source

Molecular docking of 2-(benzimidazol-2-ylthio)-N-phenylacetamide-derived small-molecule agonists of human formyl peptide receptor 1 [PDF]

, 2011
Human N-formyl peptide receptor 1 (FPR1) is a G protein-coupled receptor (GPCR) involved in host defense and sensing cellular damage. Since structure-based ligand design for many GPCRs, including FPR1, is restricted by the lack of experimental three ...
Claes Dahlgren, Schepetkin, Igor A, Mark T. Quinn, Dahlgren, Claes,, Kirpotina, Liliya N, Quinn, Mark T, Igor A. Schepetkin, Mark A. Jutila, Andrei I. Khlebnikov, Brive, Lars,, Liliya N. Kirpotina, Jutila, Mark A, Khlebnikov, Andrei I, Lars Brive   +13 more
core   +1 more source

Hyperosmotic stress induces PARP1‐mediated HPF1‐dependent mono(ADP‐ribosyl)ation

FEBS Letters, EarlyView.
Sorbitol‐induced hyperosmotic stress rapidly induces reversible mono(ADP‐ribosyl)ation (MARylation) on PARP1 without the signs of genotoxic signaling. We show that PARP1 autoMARylation is HPF1 dependent and forms hydroxylamine‐resistant O‐glycosidic linkages.
Anna Georgina Kopasz, Mihály Mérey, Rebeka Vásárhelyi, Ramóna Pék, Victor Imburchia, László Henn, Adrián Kószó, Nicholas D. Lakin, Ivan Ahel, Sébastien Huet, Ágnes Czibula, Gyula Timinszky   +11 more
wiley   +1 more source

Revisiting the Allosteric Regulation of Sodium Cation on the Binding of Adenosine at the Human A_2A Adenosine Receptor: Insights from Supervised Molecular Dynamics (SuMD) Simulations

Molecules, 2019
One of the most intriguing findings highlighted from G protein-coupled receptor (GPCR) crystallography is the presence, in many members of class A, of a partially hydrated sodium ion in the middle of the seven transmembrane helices (7TM) bundle.
Maicol Bissaro, Giovanni Bolcato, Giuseppe Deganutti, Mattia Sturlese, Stefano Moro   +4 more
doaj   +1 more source