Conformational analysis of major metabolites of macrolide antibiotics roxithromycin and erythromycin A with different biological properties by NMR spectroscopy and molecular dynamics

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29930002303 ◽

1993 ◽

pp. 2303 ◽

Cited By ~ 13

Author(s):

Josyane Gharbi-Benarous ◽

Patrick Ladam ◽

Marcel Delaforge ◽

Jean-Pierre Girault

Keyword(s):

Molecular Dynamics ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Biological Properties ◽

Macrolide Antibiotics ◽

Erythromycin A

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ACPD ligands for glutamic receptors : conformational analysis by NMR spectroscopy and molecular dynamics. Simulation in water of glutamic acid analogues containing a cyclopentane ring

Journal de Chimie Physique ◽

10.1051/jcp/1995921809 ◽

1995 ◽

Vol 92 ◽

pp. 1809-1812

Author(s):

V Larue ◽

J Gharby-Benarous ◽

D Todeschi ◽

F Acher ◽

R Azerad ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Glutamic Acid ◽

Dynamics Simulation ◽

Cyclopentane Ring

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Antihypertensive Drug Valsartan in Solution and at the AT1 Receptor: Conformational Analysis, Dynamic NMR Spectroscopy, in Silico Docking, and Molecular Dynamics Simulations

Journal of Chemical Information and Modeling ◽

10.1021/ci800427s ◽

2009 ◽

Vol 49 (3) ◽

pp. 726-739 ◽

Cited By ~ 34

Author(s):

Constantinos Potamitis ◽

Maria Zervou ◽

Vassilis Katsiaras ◽

Panagiotis Zoumpoulakis ◽

Serdar Durdagi ◽

...

Keyword(s):

Molecular Dynamics ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Molecular Dynamics Simulations ◽

Antihypertensive Drug ◽

In Silico ◽

At1 Receptor ◽

Dynamic Nmr ◽

In Silico Docking ◽

Dynamics Simulations

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Conformational analysis of all-E -retinal, all-E -8,16-methanoretinal, (1S )-all-E -8,16-methano-18-norretinal, and all-E -17,18-dinor-8,16-methanoretinal by means of NMR spectroscopy and molecular dynamics

Recueil des Travaux Chimiques des Pays-Bas ◽

10.1002/recl.19941130205 ◽

1994 ◽

Vol 113 (2) ◽

pp. 99-108 ◽

Cited By ~ 4

Author(s):

J.H. Ippel ◽

M.B. Spijker-Assink ◽

M. Groesbeek ◽

R. van der Steen ◽

C. Altona ◽

...

Keyword(s):

Molecular Dynamics ◽

Nmr Spectroscopy ◽

Conformational Analysis

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Interactions of Macrolide Antibiotics (Erythromycin A, Roxithromycin, Erythromycylamine [Dirithromycin], and Azithromycin) with Phospholipids: Computer-Aided Conformational Analysis and Studies on Acellular and Cell Culture Models

Toxicology and Applied Pharmacology ◽

10.1006/taap.1999.8632 ◽

1999 ◽

Vol 156 (2) ◽

pp. 129-140 ◽

Cited By ~ 54

Author(s):

J.-P. Montenez ◽

F. Van Bambeke ◽

J. Piret ◽

R. Brasseur ◽

P.M. Tulkens ◽

...

Keyword(s):

Cell Culture ◽

Conformational Analysis ◽

Macrolide Antibiotics ◽

Computer Aided ◽

Culture Models ◽

Erythromycin A ◽

Cell Culture Models

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Comparative Conformational Analysis of CCK-B Agonist Boc-Trp-Phg-Asp-(1-Nal)-NH2 and CCK-B Antagonist Boc-Trp-Phg-Asp-(1-Nal)-N(Me)2 Using1H NMR Spectroscopy and Restrained Molecular Dynamics

Archiv der Pharmazie ◽

10.1002/ardp.19963290405 ◽

1996 ◽

Vol 329 (4) ◽

pp. 197-204 ◽

Cited By ~ 2

Author(s):

Nathalie Goudreau ◽

Juan Hui Weng ◽

Bernard P. Roques

Keyword(s):

Molecular Dynamics ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Restrained Molecular Dynamics

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Structural elucidation of transmembrane transporter protein bilitranslocase: Conformational analysis of the second transmembrane region TM2 by molecular dynamics and NMR spectroscopy

Biochimica et Biophysica Acta (BBA) - Biomembranes ◽

10.1016/j.bbamem.2013.06.006 ◽

2013 ◽

Vol 1828 (11) ◽

pp. 2609-2619 ◽

Cited By ~ 6

Author(s):

Amrita Roy Choudhury ◽

Andrej Perdih ◽

Špela Župerl ◽

Emilia Sikorska ◽

Tom Solmajer ◽

...

Keyword(s):

Molecular Dynamics ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Structural Elucidation ◽

Transmembrane Region ◽

Transporter Protein ◽

Transmembrane Transporter

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Conformational Analysis of a Tetrasaccharide Based on NMR Spectroscopy and Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/jp052206y ◽

2005 ◽

Vol 109 (36) ◽

pp. 17320-17326 ◽

Cited By ~ 15

Author(s):

Clas Landersjö ◽

Jennie L. M. Jansson ◽

Arnold Maliniak ◽

Göran Widmalm

Keyword(s):

Molecular Dynamics ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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Conformational change due to esterification of hydroxy groups in erythromycin A and its major metabolite: Analysis of these derivatives with different biological properties using NMR and Molecular Dynamics (MD) data

Bioorganic & Medicinal Chemistry ◽

10.1016/0968-0896(95)00068-r ◽

1995 ◽

Vol 3 (5) ◽

pp. 587-604 ◽

Cited By ~ 7

Author(s):

Patrick Ladam ◽

Josyane Gharbi-Benarous ◽

Marcel Delaforge ◽

Marie-Rose Van Calsteren ◽

Christophe K. Jankowski ◽

...

Keyword(s):

Molecular Dynamics ◽

Conformational Change ◽

Biological Properties ◽

Major Metabolite ◽

Metabolite Analysis ◽

Erythromycin A ◽

Hydroxy Groups

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Conformational Analysis of Neuropeptide Y Segments by CD, NMR Spectroscopy and Restrained Molecular Dynamics

Journal of Peptide Science ◽

10.1002/(sici)1099-1387(199605)2:3<176::aid-psc62>3.3.co;2-t ◽

1996 ◽

Vol 2 (3) ◽

pp. 176-193 ◽

Cited By ~ 1

Author(s):

MARION GURRATH ◽

ALESSANDRO BISELLO ◽

KATIA BOTTAZZO ◽

CHUN‐WA CHUNG ◽

STEFANO MAMMI ◽

...

Keyword(s):

Molecular Dynamics ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Neuropeptide Y ◽

Restrained Molecular Dynamics

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Conformational Analysis of Neuropeptide Y Segments by CD, NMR Spectroscopy and Restrained Molecular Dynamics

Journal of Peptide Science ◽

10.1002/psc.62 ◽

1996 ◽

Vol 2 (3) ◽

pp. 176-193 ◽

Cited By ~ 2

Author(s):

Marion Gurrath ◽

Alessandro Bisello ◽

Katia Bottazzo ◽

Chun-Wa Chung ◽

Stefano Mammi ◽

...

Keyword(s):

Molecular Dynamics ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Neuropeptide Y ◽

Restrained Molecular Dynamics

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