Protein design: From the aspect of water solubility and stability

R Qing, S Hao, E Smorodina, D Jin, A Zalevsky… - Chemical …, 2022 - ACS Publications
Water solubility and structural stability are key merits for proteins defined by the primary
sequence and 3D-conformation. Their manipulation represents important aspects of the …

Sweet, umami and bitter taste receptors: State of the art of in silico molecular modeling approaches

G Spaggiari, A Di Pizio, P Cozzini - Trends in food science & technology, 2020 - Elsevier
Background The human taste experience is the result of five basic taste qualities, namely
sweet, salty, bitter, sour and umami. Sweet, bitter, and umami are mediated by G protein …

Common activation mechanism of class A GPCRs

Q Zhou, D Yang, M Wu, Y Guo, W Guo, L Zhong, X Cai… - Elife, 2019 - elifesciences.org
Class A G-protein-coupled receptors (GPCRs) influence virtually every aspect of human
physiology. Understanding receptor activation mechanism is critical for discovering novel …

Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition

Y Yuan, G Jia, C Wu, W Wang, L Cheng, Q Li, Z Li… - Cell research, 2021 - nature.com
Abstract Sphingosine-1-phosphate (S1P) is an important bioactive lipid molecule in cell
membrane metabolism and binds to G protein-coupled S1P receptors (S1PRs) to regulate …

GPCRmd uncovers the dynamics of the 3D-GPCRome

I Rodríguez-Espigares, M Torrens-Fontanals… - Nature …, 2020 - nature.com
G-protein-coupled receptors (GPCRs) are involved in numerous physiological processes
and are the most frequent targets of approved drugs. The explosion in the number of new …

Structural and functional characterization of G protein–coupled receptors with deep mutational scanning

EM Jones, NB Lubock, AJ Venkatakrishnan, J Wang… - Elife, 2020 - elifesciences.org
The> 800 human G protein–coupled receptors (GPCRs) are responsible for transducing
diverse chemical stimuli to alter cell state-and are the largest class of drug targets. Their …

Molecular switches in GPCRs

S Filipek - Current Opinion in Structural Biology, 2019 - Elsevier
Highlights•GPCRs are key players in cell-cell communication and pass the signal via
coordinated action of switches.•There are two types of switches: toggle switches and …

Structural assessment of agonist efficacy in the μ-opioid receptor: morphine and fentanyl elicit different activation patterns

A Ricarte, JAR Dalton, J Giraldo - Journal of chemical information …, 2021 - ACS Publications
Over the past two decades, the opioid epidemic in the United States and Canada has
evidenced the need for a better understanding of the molecular mechanisms of medications …

Fentanyl and the fluorinated fentanyl derivative NFEPP elicit distinct hydrogen-bond dynamics of the opioid receptor

S Lešnik, U Bren, T Domratcheva… - Journal of chemical …, 2023 - ACS Publications
The development of safe therapeutics to manage pain is of central interest for biomedical
applications. The fluorinated fentanyl derivative N-(3-fluoro-1-phenethylpiperidin-4-yl)-N …

Molecular determinants of ligand efficacy and potency in GPCR signaling

FM Heydenreich, M Marti-Solano, M Sandhu… - Science, 2023 - science.org
Heterotrimeric guanine nucleotide–binding protein (G protein)–coupled receptors (GPCRs)
bind to extracellular ligands and drugs and modulate intracellular responses through …