Structural insight into epothilones antitumor activity based on the conformational preferences and tubulin binding modes of epothilones A and B obtained from molecular dynamics simulations-Reference-Cited by-同舟云学术

Structural insight into epothilones antitumor activity based on the conformational preferences and tubulin binding modes of epothilones A and B obtained from molecular dynamics simulations

Published:2014-04-28 Issue:4 Volume:33 Page:789-803
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Jiménez Verónica A.¹,Alderete Joel B.²,Navarrete Karen R.²

Affiliation:

1. Facultad de Ciencias Exactas, Departamento de Ciencias Químicas, Universidad Andres Bello Sede Concepción, Autopista Concepción-Talcahuano, 7100 Talcahuano, Chile

2. Facultad de Ciencias Químicas, Departamento de Química Orgánica, Universidad de Concepción, Concepcion, Chile

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2014.911702

Reference37 articles.

1. Very fast prediction and rationalization of pKa values for protein-ligand complexes

2. Interaction of Epothilone Analogs with the Paclitaxel Binding Site

3. The High-Resolution Solution Structure of Epothilone A Bound to Tubulin: An Understanding of the Structure–Activity Relationships for a Powerful Class of Antitumor Agents

4. Derivation of Dihedral Angles from CH–CH Dipolar–Dipolar Cross-Correlated Relaxation Rates: A C–C Torsion Involving a Quaternary Carbon Atom in Epothilone A Bound to Tubulin

5. The Binding Mode of Side Chain- and C3-Modified Epothilones to Tubulin

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