Molecular interactions between fenoterol stereoisomers and derivatives and the β2-adrenergic receptor binding site studied by docking and molecular dynamics simulations-Reference-Cited by-同舟云学术

Molecular interactions between fenoterol stereoisomers and derivatives and the β2-adrenergic receptor binding site studied by docking and molecular dynamics simulations

Published:2013-09-17 Issue:11 Volume:19 Page:4919-4930
ISSN:1610-2940
Container-title:Journal of Molecular Modeling
language:en
Short-container-title:J Mol Model

Author:

Plazinska Anita,Kolinski Michal,Wainer Irving W.,Jozwiak Krzysztof

Publisher

Springer Science and Business Media LLC

Subject

Computational Theory and Mathematics,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis

Link

http://link.springer.com/content/pdf/10.1007/s00894-013-1981-y.pdf

Reference43 articles.

1. Jozwiak K, Khalid C, Tanga MJ, Berzetei-Gurske I, Jimenez L, Kozocas JA, Woo A, Zhu W, Xiao RP, Abernethy DR, Wainer IW (2007) Comparative molecular field analysis of the binding of the stereoisomers of fenoterol and fenoterol derivatives to the beta2 adrenergic receptor. J Med Chem 50:2903–2915

2. Wermuth CG (2006) Selective optimization of side activities: the SOSA approach. Drug Discov Today 11:160–164

3. Woo AY, Xiao RP (2012) β-Adrenergic receptor subtype signaling in heart: from bench to bedside. Acta Pharmacol Sin 33:335–341

4. Jozwiak K, Woo AY, Tanga MJ, Toll L, Jimenez L, Kozocas JA, Plazinska A, Xiao RP, Wainer IW (2010) Comparative molecular field analysis of fenoterol derivatives: a platform towards highly selective and effective beta(2)-adrenergic receptor agonists. Bioorg Med Chem 18:728–736

5. Jozwiak K, Toll L, Jimenez L, Woo AY, Xiao RP, Wainer IW (2010) The effect of stereochemistry on the thermodynamic characteristics of the binding of fenoterol stereoisomers to the beta(2)-adrenoceptor. Biochem Pharmacol 79:1610–1615

Cited by 30 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Whether Molecular Dynamics Methods Can Explain Different Activities of Stereoisomers Against Respiratory Syncytial Virus or Not?;Journal of Structural Chemistry;2024-01

2. A comprehensive pharmacological analysis of fenoterol and its derivatives to unravel the role of β2-adrenergic receptor in zebrafish;Biomedicine & Pharmacotherapy;2023-04

3. Elucidation of a dynamic interplay between a beta-2 adrenergic receptor, its agonist, and stimulatory G protein;Proceedings of the National Academy of Sciences;2023-02-28

4. L-DOPA and Droxidopa: From Force Field Development to Molecular Docking into Human β2-Adrenergic Receptor;Life;2022-09-06

5. Recognition in the Domain of Molecular Chirality: From Noncovalent Interactions to Separation of Enantiomers;Chemical Reviews;2022-08-02