Results 151 to 160 of about 121,181 (303)

Optical control of pain in vivo with a photoactive mGlu5 receptor negative allosteric modulator

Light-operated drugs constitute a major target in drug discovery, since they may provide spatiotemporal resolution for the treatment of complex diseases (i.e. chronic pain). JF-NP-26 is an inactive photocaged derivative of the metabotropic glutamate type
Bresolí-Obach, Roger, Font, Joan, López-Cano, Marc, Llebaria Soldevila, Amadeu, Ciruela Alférez, Francisco, Scarselli, Pamela, Goudet, Cyril, Nonell, S. (Santi), Catena, Juanlo, Malhaire, Fanny, Di Pietro, Paola, Battaglia, Giuseppe, Giraldo, Jesús, Pin, Jean-Philippe, Nicoletti, Ferdinando, Rovira, Xavier, Fernández Dueñas, Víctor, Notartomaso, Serena   +17 more
core   +1 more source

Effect of cooperativity factor δ on the interaction of two allosteric modulators binding each to its own allosteric site.

, 2019
Upper row, simulation of tracer binding (ordinate) in the presence two allosteric modulators A and B each binding to its own site, where A is either positive (left) or negative (right) and B is negative allosteric modulator.
Esam E. El-Fakahany (339452), Alena Randáková (339451), Jan Jakubík (339449), Vladimír Doležal (339453)   +3 more
core   +1 more source

Allosteric Inhibition of Polycomb Repressive Complex 2 by an EZH2‐Selective Small Molecule Inhibitor

Advanced Science, EarlyView.
The study characterizes C36, a highly selective EZH2/PRC2 inhibitor that acts via a novel allosteric mechanism. Unlike previous inhibitors, C36 inhibits EZH2/PRC2 by disrupting the allosteric communication between EZH2 and EED in a SAM‐noncompetitive manner.
Ting Cao, Dongdong Liu, Haishan Gao, Chenyang Qin, Wen Zhang, Ziyun Lu, Dongxia Tan, Yuxiu Qu, Yusong Liu, Zhiran Zou, Hongtao Yu, Wei Qi   +11 more
wiley   +1 more source

Molecular Modeling Study of Receptor-Orthosteric Ligand-Allosteric Modulator Signaling Complex

, 2022
Allosteric modulators (AMs) are always the hotspot in research for their higher selectivity and various effects on the orthosteric ligands (OL), whereas AMs are also classified in terms of its functionalities as positive, negative, or silent allosteric ...
Jiang, Chen
core  

A Phase‐Resolved Geometric Deep Learning Framework Maps Structural Determinants of Disease‐Associated Protein Aggregation and Guides Suppressor Design

Advanced Science, EarlyView.
SKALE 2.0 maps disease‐associated protein aggregation as a phase‐resolved structural process, linking mutation‐induced geometric perturbations to nucleation, elongation, and suppressor design. Across neurodegenerative proteins, the framework reveals cryptic aggregation vulnerabilities, separates phase‐concordant and phase‐switching mutations, and ...
Jia Shen Sio, Wei Xuan Wilson Loo, Yan Shan Loo, Wen Xin Tan, Hui Xuan Lim, Huitao Liu, Chen Seng Ng   +6 more
wiley   +1 more source

Conformational Transduction Amplification in a Biomimetic Polyelectrolyte for Ultrasensitive Imaging of Iron Metabolism

Advanced Science, EarlyView.
This work designs a peptide‐free polyelectrolyte with stable, switchable conformations and near‐infrared fluorescence in water. It harnesses a cooperative Fe3+‐triggered sheet‐to‐helix transition to generate nonlinear fluorescence quenching, enabling the ultrasensitive, real‐time visualization of Fe3+ ion distribution and metabolic trafficking at ...
Yeqiang Zhou, Danqi Yang, Yiwei Wang, Shuangyan Li, Fan Fan, Jiayu Zou, Cheng Zhang, Yang Liu, Hong Tan, Mingming Ding   +9 more
wiley   +1 more source

The search of new negative allosteric GABAB receptor modulators using in silico and in vitro approaches [PDF]

, 2020
γ-aminobutyric acid (GABA) is the primary inhibitory neurotransmitter in the CNS. GABA exerts its function on both ionotropic ligand-gated GABAA receptors and metabotropic GABAB G-protein coupled receptors (GPCRs).
Hadi, Ali Muataz
core  

Citrus aurantium honey‐mediated gut homeostasis and anti‐inflammation via Thorl/Nprl2‐TORC1 signaling: Network pharmacology and Drosophila validation

Animal Models and Experimental Medicine, EarlyView.
The study employed a four‐tiered strategy: (1) UHPLC‐FTMS profiling of Citrus aurantium honey to characterize its chemical composition; (2) network pharmacology analysis integrating target prediction, protein–protein interaction networks, and KEGG pathway enrichment to identify the Thor1/Nprl2‐TORC1 axis as a key mechanistic pathway; (3) in vitro ...
Wenqi Wan, Ruiguang Huang, Shuqiong Cao, Luxia Pan, Wenkai Zhang, Wujun Jiang, Zhiyong Liu   +6 more
wiley   +1 more source

Gut microbe-generated phenylacetylglutamine is an endogenous allosteric modulator of β2-adrenergic receptors

Nature Communications
Allosteric modulation is a central mechanism for metabolic regulation but has yet to be described for a gut microbiota-host interaction. Phenylacetylglutamine (PAGln), a gut microbiota-derived metabolite, has previously been clinically associated with ...
Prasenjit Prasad Saha, Valentin Gogonea, Wendy Sweet, Maradumane L. Mohan, Khuraijam Dhanachandra Singh, James T. Anderson, Deepthi Mallela, Conner Witherow, Niladri Kar, Kate Stenson, Terri Harford, Michael A. Fischbach, J. Mark Brown, Sadashiva S. Karnik, Christine S. Moravec, Joseph A. DiDonato, Sathyamangla Venkata Naga Prasad, Stanley L. Hazen   +17 more
doaj   +1 more source

Allosteric modulators of metabotropic glutamate receptors: from virtual screening to experimental validation

, 2007
The goal of this thesis was to gain further insight into the binding behavior of ligands in the heptahelical domain (HD) of group I metabotropic glutamate receptors (mGluRs).
Noeske, Tobias
core