Allosteric Regulation of Catalytic Activity: Escherichia coli Aspartate Transcarbamoylase versus Yeast Chorismate Mutase [PDF]
Kerstin Helmstaedt+2 more
openalex +1 more source
Beyond Docking: A Multitier Computational Pipeline for USP7 Inhibitor Optimization
A multitier computational strategy discovers potential USP7 inhibitors using similarity‐based virtual screening, physics‐driven molecular simulations, binding free energy estimations, binary QSAR modeling, and steered molecular dynamics analysis. This integrated approach prioritizes and optimizes lead compounds with strong predicted affinity, offering ...
Ehsan Sayyah+2 more
wiley +1 more source
Synthesis of New N,N′‐Diarylureas and Their Theoretical Study as Cannabinoid‐1 Receptor Inhibitors
A series of new pyrazolo‐ and triazolo‐based N,N′‐diarylureas is synthesized following the triphosgene protocol in the last step. Density functional theory calculations and molecular docking provide strong evidence that all new compounds bind strongly to the cannabinoid‐1 (CB‐1) receptor, showing comparable results with the known allosteric CB‐1 ...
Eirini Tsemperlidou+4 more
wiley +1 more source
Disorder driven allosteric control of protein activity
Studies of protein allostery increasingly reveal an involvement of the back and forth order-disorder transitions in this mechanism of protein activity regulation.
Wei-Ven Tee+2 more
doaj
Allosteric transitions of phosphorylase a and the regulation of glycogen metabolism.
Neil B. Madsen+2 more
openalex +1 more source
The gdhB Gene of Pseudomonas aeruginosa Encodes an Arginine-Inducible NAD + -Dependent Glutamate Dehydrogenase Which Is Subject to Allosteric Regulation [PDF]
Chung‐Dar Lu, Ahmed T. Abdelal
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Another Chinese generic ban‐evading SCRA, CH‐FUBBMPDORA, has emerged. This study reports its first identification in Europe, its analytical characterization (NMR, Raman, FTIR, GC–MS, and HRMS), its cannabinoid activation potential in a βarr2 recruitment assay, and its metabolization profile.
Marie H. Deventer+13 more
wiley +1 more source
Structural basis for allosteric substrate specificity regulation in anaerobic ribonucleotide reductases [PDF]
Derek T. Logan+3 more
openalex +1 more source
The link of FOXO1 and FOXO4 transcription factors to development of the lens
Abstract Background The FOXOs regulate the transcription of many genes, including ones directly linked to pathways required for lens development. However, this transcription factor family has rarely been studied in the context of development, including the development of the lens.
Rifah N. Gheyas+3 more
wiley +1 more source