4.8 Article

Structural basis of agonist specificity of & alpha;(1A)-adrenergic receptor

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Review Biochemistry & Molecular Biology

α1-Adrenergic Receptors: Insights into Potential Therapeutic Opportunities for COVID-19, Heart Failure, and Alzheimer's Disease

Dianne M. Perez

Summary: Alpha(1)-adrenergic receptors (ARs) play a role in regulating the sympathetic nervous system and their antagonists are used in treating benign prostatic hyperplasia, while their agonists are used in septic shock. Newer research suggests potential use of alpha(1A)-AR agonists in heart failure, ischemia, and Alzheimer's disease, and non-selective alpha(1)-AR antagonists in COVID-19/SARS, Parkinson's disease, and posttraumatic stress disorder. However, more research is needed before these therapies can be used for non-approved conditions.

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2023)

Article Multidisciplinary Sciences

Elucidation of a dynamic interplay between a beta-2 adrenergic receptor, its agonist, and stimulatory G protein

Yanxiao Han et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2023)

Article Chemistry, Physical

Lipid21: Complex Lipid Membrane Simulations with AMBER

Callum J. Dickson et al.

Summary: This study extends the modular AMBER lipid force field to include anionic lipids, PUFA lipids, and sphingomyelin, enabling the simulation of realistic cell membrane lipid compositions, including raft-like domains. The revised torsion parameters of the head groups and updated hydrocarbon chain parameters improve the accuracy of the force field. Extensive validation runs show good agreement with experimental measurements.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2022)

Article Multidisciplinary Sciences

Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate

Shian Liu et al.

Summary: This study reports the structures and functions of human lysophosphatidic acid (LPA) receptor 1 (LPA(1)) and sphingosine 1-phosphate (S1P) receptor 1 (S1P(1)) in complex with their ligands. The results reveal distinct conformations of LPA and S1P when interacting with their cognate GPCRs, and provide insights into the activation mechanisms of these lipid GPCRs.

NATURE COMMUNICATIONS (2022)

Article Multidisciplinary Sciences

Crystal structure of the α1B-adrenergic receptor reveals molecular determinants of selective ligand recognition

Mattia Deluigi et al.

Summary: This study reports the X-ray structure of the alpha(1B)-adrenergic G protein-coupled receptor bound to an inverse agonist and identifies key determinants of subtype-selective ligand binding. This finding is important for the design of aminergic drugs with fewer side-effects.

NATURE COMMUNICATIONS (2022)

Article Multidisciplinary Sciences

Structures of β1-adrenergic receptor in complex with Gs and ligands of different efficacies

Minfei Su et al.

Summary: This study investigates how a GPCR activates G-proteins upon binding ligands with different efficacies. Cryo-EM structures of beta(1)-adrenergic receptor (beta(1)-AR) in complex with Gs and ligands of different efficacies were reported. The complexes have similar overall architecture but with local conformational differences and different stabilities. Cellular and biochemical studies show the effects of ligand efficacy on the cellular signaling from beta(1)-AR to the cAMP response.

NATURE COMMUNICATIONS (2022)

Article Biochemistry & Molecular Biology

α1-Adrenergic receptors increase glucose oxidation under normal and ischemic conditions in adult mouse cardiomyocytes

Robert S. Papay et al.

Summary: The study showed that phenylephrine can stimulate glucose oxidation in adult primary cardiomyocytes but not fatty acid oxidation. Additionally, under ischemic conditions, phenylephrine also increased glucose oxidation. This suggests a potential new therapeutic approach in treating ischemia through regulation of glucose oxidation by alpha(1)-ARs.

JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION (2021)

Article Cell Biology

Binding pathway determines norepinephrine selectivity for the human β1AR over β2AR

Xinyu Xu et al.

Summary: Beta adrenergic receptors mediate physiological responses to catecholamines epinephrine and norepinephrine, and norepinephrine shows higher affinity for beta(1)AR. Crystal structure analysis revealed identical catecholamine-binding pockets but differences in extracellular vestibules between beta(1)AR and beta(2)AR, influencing norepinephrine binding path and affinity.

CELL RESEARCH (2021)

Article Pharmacology & Pharmacy

The selectivity of α-adrenoceptor agonists for the human α1A, α1B, and α1D-adrenoceptors

Richard G. W. Proudman et al.

Summary: This study examined 62 alpha-agonists on three human alpha 1-adrenoceptor subtypes, with A61603 identified as the most selective agonist, and adrenaline, noradrenaline, and phenylephrine as highly efficacious agonists. The findings suggest potential for developing affinity selective and intrinsic efficacy selective drugs for the alpha 1-adrenoceptors in future drug development.

PHARMACOLOGY RESEARCH & PERSPECTIVES (2021)

Review Cardiac & Cardiovascular Systems

Cardiac α1A-adrenergic receptors: emerging protective roles in cardiovascular diseases

Jiandong Zhang et al.

Summary: Alpha 1-adrenergic receptors play essential roles in cardiovascular physiology, and activation of cardiac alpha 1-ARs may have cardioprotective effects.

AMERICAN JOURNAL OF PHYSIOLOGY-HEART AND CIRCULATORY PHYSIOLOGY (2021)

Article Biochemistry & Molecular Biology

Structural basis and mechanism of activation of two different families of G proteins by the same GPCR

Kamela O. Alegre et al.

Summary: This study investigates how the beta(1)-adrenergic receptor signals through two families of G proteins by analyzing the structural interactions between the receptor and G proteins. The findings reveal that the activation efficacy of G proteins by the receptor is determined by the overall three-dimensional interaction surface. The study also highlights the structural basis for the coupling specificity of the receptor to different families of G proteins.

NATURE STRUCTURAL & MOLECULAR BIOLOGY (2021)

Review Chemistry, Multidisciplinary

Gaussian accelerated molecular dynamics: Principles and applications

Jinan Wang et al.

Summary: Gaussian accelerated molecular dynamics (GaMD) is a robust computational method that accelerates biomolecular simulations by adding a harmonic boost potential, allowing for energetic reweighting via cumulant expansion to accurately reconstruct free energy landscapes. Hybrid schemes with other enhanced sampling methods have been introduced to further improve sampling and free energy calculations, enabling efficient characterization of biomolecular dynamics and interactions.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2021)

Review Cell Biology

Current Developments on the Role of α1-Adrenergic Receptors in Cognition, Cardioprotection, and Metabolism

Dianne M. Perez

Summary: Alpha(1)-adrenergic receptors play various roles in the body beyond regulating vascular smooth muscle contraction and blood pressure, including neurotransmission, cognition, and cardiac protection. Advances in research using transgenic and knockout mouse models, as well as more selective ligands, have provided deeper insights into their physiological functions.

FRONTIERS IN CELL AND DEVELOPMENTAL BIOLOGY (2021)

Review Biochemistry & Molecular Biology

Ligands of Adrenergic Receptors: A Structural Point of View

Yiran Wu et al.

Summary: Adrenergic receptors, as G protein-coupled receptors for epinephrine and norepinephrine, are targeted by drugs for treating hypertension, hypotension, and asthma. Structural biology studies have provided insights into the molecular mechanisms of ligand recognition and receptor activation, as well as recent advances in structure-based ligand discovery against adrenergic receptors.

BIOMOLECULES (2021)

Article Biochemistry & Molecular Biology

Structure of a Hallucinogen-Activated Gq-Coupled 5-HT2A Serotonin Receptor

Kuglae Kim et al.

Article Chemistry, Multidisciplinary

A Bayesian approach to beam-induced motion correction in cryo-EM single-particle analysis

Jasenko Zivanov et al.

Article Biology

Common activation mechanism of class A GPCRs

Qingtong Zhou et al.

Article Biochemistry & Molecular Biology

SWISS-MODEL: homology modelling of protein structures and complexes

Andrew Waterhouse et al.

NUCLEIC ACIDS RESEARCH (2018)

Letter Biochemical Research Methods

MotionCor2: anisotropic correction of beam-induced motion for improved cryo-electron microscopy

Shawn Q. Zheng et al.

NATURE METHODS (2017)

Article Biochemical Research Methods

cryoSPARC: algorithms for rapid unsupervised cryo-EM structure determination

Ali Punjani et al.

NATURE METHODS (2017)

Review Pharmacology & Pharmacy

The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities

Samuel Genheden et al.

EXPERT OPINION ON DRUG DISCOVERY (2015)

Article Chemistry, Physical

Gaussian Accelerated Molecular Dynamics: Unconstrained Enhanced Sampling and Free Energy Calculation

Yinglong Miao et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)

Article Chemistry, Physical

ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

James A. Maier et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)

Article Biochemistry & Molecular Biology

CTFFIND4: Fast and accurate defocus estimation from electron micrographs

Alexis Rohou et al.

JOURNAL OF STRUCTURAL BIOLOGY (2015)

Review Pharmacology & Pharmacy

Polymorphic Variants of Adrenoceptors: Pharmacology, Physiology, and Role in Diseases

Andrea Ahles et al.

PHARMACOLOGICAL REVIEWS (2014)

Article Chemistry, Physical

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

Daniel R. Roe et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)

Review Cardiac & Cardiovascular Systems

Alpha-1-adrenergic receptors: Targets for agonist drugs to treat heart failure

Brian C. Jensen et al.

JOURNAL OF MOLECULAR AND CELLULAR CARDIOLOGY (2011)

Article Biochemical Research Methods

MolProbity: all-atom structure validation for macromolecular crystallography

Vincent B. Chen et al.

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2010)

Article Biochemical Research Methods

PHENIX: a comprehensive Python-based system for macromolecular structure solution

Paul D. Adams et al.

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2010)

Article Pharmacology & Pharmacy

Functional alpha-1B adrenergic receptors on human epicardial coronary artery endothelial cells

Brian C. Jensen et al.

NAUNYN-SCHMIEDEBERGS ARCHIVES OF PHARMACOLOGY (2010)

Article Pharmacology & Pharmacy

α1-adrenoceptors are required for normal male sexual function

A. Sanbe et al.

BRITISH JOURNAL OF PHARMACOLOGY (2007)

Article Chemistry, Medicinal

Extra precision glide: Docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes

Richard A. Friesner et al.

JOURNAL OF MEDICINAL CHEMISTRY (2006)

Article Chemistry, Multidisciplinary

Development and testing of a general amber force field

JM Wang et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)

Article Biochemical Research Methods

Coot:: model-building tools for molecular graphics

P Emsley et al.

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2004)

Review Pharmacology & Pharmacy

Adrenergic receptor knockout mice: distinct functions of 9 receptor subtypes

M Philipp et al.

PHARMACOLOGY & THERAPEUTICS (2004)

Article Medicine, Research & Experimental

The α1A/C- and α1B-adrenergic receptors are required for physiological cardiac hypertrophy in the double-knockout mouse

TD O'Connell et al.

JOURNAL OF CLINICAL INVESTIGATION (2003)

Article Multidisciplinary Sciences

Knockout of the α1A/C-adrenergic receptor subtype:: The α1A/C is expressed in resistance arteries and is required to maintain arterial blood pressure

DG Rokosh et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2002)

Article Medicine, Research & Experimental

The alpha(lD)-adrenergic receptor directly regulates arterial blood pressure via vasoconstriction

A Tanoue et al.

JOURNAL OF CLINICAL INVESTIGATION (2002)

Review Chemistry, Multidisciplinary

Calculating structures and free energies of complex molecules: Combining molecular mechanics and continuum models

PA Kollman et al.

ACCOUNTS OF CHEMICAL RESEARCH (2000)