Quantum chemical descriptors in quantitative structure–activity relationship models and their applications
L Wang, J Ding, L Pan, D Cao, H Jiang… - … and Intelligent Laboratory …, 2021 - Elsevier
With the accumulation of chemical and biological experimental data and the continuous
development of mathematical statistical algorithms, quantitative structure–activity …
development of mathematical statistical algorithms, quantitative structure–activity …
Physiology of the orexinergic/hypocretinergic system: a revisit in 2012
JP Kukkonen - American Journal of Physiology-Cell …, 2013 - journals.physiology.org
The neuropeptides orexins and their G protein-coupled receptors, OX1 and OX2, were
discovered in 1998, and since then, their role has been investigated in many functions …
discovered in 1998, and since then, their role has been investigated in many functions …
Crystal structure of the µ-opioid receptor bound to a morphinan antagonist
Opium is one of the world's oldest drugs, and its derivatives morphine and codeine are
among the most used clinical drugs to relieve severe pain. These prototypical opioids …
among the most used clinical drugs to relieve severe pain. These prototypical opioids …
GPCR-I-TASSER: a hybrid approach to G protein-coupled receptor structure modeling and the application to the human genome
Experimental structure determination remains difficult for G protein-coupled receptors
(GPCRs). We propose a new hybrid protocol to construct GPCR structure models that …
(GPCRs). We propose a new hybrid protocol to construct GPCR structure models that …
Novel insights on thyroid-stimulating hormone receptor signal transduction
G Kleinau, S Neumann, A Grüters, H Krude… - Endocrine …, 2013 - academic.oup.com
The TSH receptor (TSHR) is a member of the glycoprotein hormone receptors, a subfamily of
family AG protein-coupled receptors. The TSHR is of great importance for the growth and …
family AG protein-coupled receptors. The TSHR is of great importance for the growth and …
Integrated approach to structure-based enzymatic drug design: molecular modeling, spectroscopy, and experimental bioactivity
Analysis of the literature involving computational modeling of diseases and drug design with
the aid of experimental spectroscopic techniques reveals that this specific combination of …
the aid of experimental spectroscopic techniques reveals that this specific combination of …
A small chaperone improves folding and routing of rhodopsin mutants linked to inherited blindness
P Behnen, A Felline, A Comitato, MT Di Salvo… - Iscience, 2018 - cell.com
The autosomal dominant form of retinitis pigmentosa (adRP) is a blindness-causing
conformational disease largely linked to mutations of rhodopsin. Molecular simulations …
conformational disease largely linked to mutations of rhodopsin. Molecular simulations …
Molecular modeling, quantum polarized ligand docking and structure-based 3D-QSAR analysis of the imidazole series as dual AT1 and ETA receptor antagonists
KD Singh, K Muthusamy - Acta Pharmacologica Sinica, 2013 - nature.com
Aim: Both endothelin ET A receptor antagonists and angiotensin AT 1 receptor antagonists
lower blood pressure in hypertensive patients. A dual AT 1 and ET A receptor antagonist …
lower blood pressure in hypertensive patients. A dual AT 1 and ET A receptor antagonist …
GPCR heterodimerization in the reproductive system: functional regulation and implication for biodiversity
H Satake, S Matsubara, M Aoyama… - Frontiers in …, 2013 - frontiersin.org
AG protein-coupled receptor (GPCR) functions not only as a monomer or homodimer but
also as a heterodimer with another GPCR. GPCR heterodimerization results in the …
also as a heterodimer with another GPCR. GPCR heterodimerization results in the …
Evolutionary analyses reveal immune cell receptor GPR84 as a conserved receptor for bacteria-derived molecules
AS Schulze, G Kleinau, R Krakowsky, D Rochmann… - Iscience, 2022 - cell.com
The G protein-coupled receptor 84 (GPR84) is found in immune cells and its expression is
increased under inflammatory conditions. Activation of GPR84 by medium-chain fatty acids …
increased under inflammatory conditions. Activation of GPR84 by medium-chain fatty acids …