Results 161 to 170 of about 127,473 (347)

Beyond Docking: A Multitier Computational Pipeline for USP7 Inhibitor Optimization

open access: yesChemMedChem, EarlyView.
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

open access: yesChemPlusChem, EarlyView.
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

open access: yesCurrent Research in Structural Biology, 2020
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.

open access: hybrid, 1978
Neil B. Madsen   +2 more
openalex   +1 more source

Identification and Investigation of the Intrinsic Receptor Activation Potential and Metabolization of the New Oxo‐Pyridyl Synthetic Cannabinoid Receptor Agonist CH‐FUBBMPDORA

open access: yesDrug Testing and Analysis, EarlyView.
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]

open access: bronze, 2002
Derek T. Logan   +3 more
openalex   +1 more source

The link of FOXO1 and FOXO4 transcription factors to development of the lens

open access: yesDevelopmental Dynamics, EarlyView.
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

Home - About - Disclaimer - Privacy