Computational studies of the binding site of alpha1A-adrenoceptor antagonists (Q45769614)

15 December 2017

title

Computational studies of the binding site of alpha1A-adrenoceptor antagonists (English)

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15 December 2017

author

Minyong Li

1

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15 December 2017

Binghe Wang

5

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15 December 2017

author name string

Hao Fang

2

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15 December 2017

Lupei Du

3

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15 December 2017

Lin Xia

4

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15 December 2017

publication date

15 July 2008

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15 December 2017

Journal of Molecular Modeling

published in

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15 December 2017

volume

14

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15 December 2017

issue

10

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15 December 2017

page(s)

957-966

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15 December 2017

Alpha-adrenoceptors and benign prostatic hyperplasia: basic principles for treatment with alpha-adrenoceptor antagonists

cites work

1 reference

Crossref

https://api.crossref.org/works/10.1007%2FS00894-008-0342-8

Rational design, synthesis, biologic evaluation, and structure-activity relationship studies of novel 1-indanone alpha(1)-adrenoceptor antagonists

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An investigation of the uroselective properties of four novel alpha(1a)-adrenergic receptor subtype-selective antagonists

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An Implicit Membrane Generalized Born Theory for the Study of Structure, Stability, and Interactions of Membrane Proteins

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Phe-308 and Phe-312 in transmembrane domain 7 are major sites of alpha 1-adrenergic receptor antagonist binding. Imidazoline agonists bind like antagonists

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Satisfying hydrogen bonding potential in proteins

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Validation of protein crystal structures

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Protein structure prediction using a variety of profile libraries and 3D verification.

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Development and validation of a modular, extensible docking program: DOCK 5.

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High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor

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Verification of protein structures: patterns of nonbonded atomic interactions

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VERIFY3D: assessment of protein models with three-dimensional profiles

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Setting up and running molecular dynamics simulations of membrane proteins

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Crystal structure of the human beta2 adrenergic G-protein-coupled receptor

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ESPript/ENDscript: Extracting and rendering sequence and 3D information from atomic structures of proteins

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Identification of binding sites of prazosin, tamsulosin and KMD-3213 with alpha(1)-adrenergic receptor subtypes by molecular modeling

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GPCR engineering yields high-resolution structural insights into beta2-adrenergic receptor function

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The unique nature of the serine interactions for alpha 1-adrenergic receptor agonist binding and activation

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Statistical potential for assessment and prediction of protein structures

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Update on human alpha1-adrenoceptor subtype signaling and genomic organization.

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Bulk is a determinant of oxymetazoline affinity for the alpha1A-adrenergic receptor

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Silodosin, a novel selective alpha 1A-adrenoceptor selective antagonist for the treatment of benign prostatic hyperplasia

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Homology modeling of G-protein-coupled receptors and implications in drug design

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Homology modeling and examination of the effect of the D92E mutation on the H5N1 nonstructural protein NS1 effector domain

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Modeller: generation and refinement of homology-based protein structure models

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Binding site analysis of full-length alpha1a adrenergic receptor using homology modeling and molecular docking.

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Modeling and mutagenesis of the human alpha 1a-adrenoceptor: orientation and function of transmembrane helix V sidechains

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Key issues in the computational simulation of GPCR function: representation of loop domains.

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Computational development of an α1A-adrenoceptor model in a membrane mimic

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Comparative modeling for protein structure prediction

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Homology modeling with low sequence identity

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De novo design of a novel oxazolidinone analogue as a potent and selective alpha1A adrenergic receptor antagonist with high oral bioavailability

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Self-organizing molecular field analysis on alpha(1a)-adrenoceptor dihydropyridine antagonists

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Advances in Homology Protein Structure Modeling

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Structure-function of alpha1-adrenergic receptors

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LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions

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Alpha1-adrenoceptor subtypes

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Characterization of binding site of closed-state KCNQ1 potassium channel by homology modeling, molecular docking, and pharmacophore identification

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Pharmacophore-based design, synthesis, biological evaluation, and 3D-QSAR studies of aryl-piperazines as alpha(1)-adrenoceptor antagonists

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12 December 2020

10.1007/S00894-008-0342-8

Identifiers

DOI

1 reference

15 December 2017

Dimensions Publication ID

1051701081

0 references

1 reference

15 December 2017