Toward Docking-Based Virtual Screening for Discovering Antitubulin Agents by Targeting Taxane and Colchicine Binding Sites
✍ Scribed by Laurent Soulère
- Book ID
- 102805286
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 553 KB
- Volume
- 4
- Category
- Article
- ISSN
- 1860-7179
No coin nor oath required. For personal study only.
✦ Synopsis
Abstract
Docking‐based virtual screening: Flexible docking, scoring, and virtual screening of ligand databases are on the way to fulfilling the promise. Docking‐based virtual screening that targets taxane and colchicine binding sites will certainly provide new antitubulin agents.magnified image
Tubulin proteins play a major role in cell division, and were first identified as attractive targets for cancer therapy over 40 years ago. Recent studies aiming to gain structural insight into the binding mode of antitubulin agents to taxane or colchicine binding sites using NMR and/or molecular‐mechanics‐assisted conformation analysis and docking simulations have been reported. These studies, which represent the main focus of this article, create prospects for the development of docking‐based virtual screening techniques to aid in the discovery of new antitubulin agents.