TITLE

Molecular Docking Studies of Some Novel Hydroxamic Acid Derivatives

AUTHOR(S)
Saha, Supriyo; Banerjee, Subhasis; Ganguly, Swastika
PUB. DATE
April 2010
SOURCE
International Journal of ChemTech Research;Apr2010, Vol. 2 Issue 2, p932
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
A series of few triazole linked hydroxamic acid derivatives were designed virtually considering the basic pharmacophore of suberoyl anilide hydroxamic acid (SAHA). The least energy conformers of each molecule was generated and docked with human histone deacetylase (HDAC8) with PDB id 1T69 using Autodock 4.0.1. Most of the molecules have shown significant binding interaction with the receptor. Among the test compounds, 1a and 1g have shown highest free energy of binding -7.04 kcal/mol and -7.23 kcal/mol respectively, which is comparable to that of the reference standard, SAHA.
ACCESSION #
51924386

 

Share

Read the Article

Courtesy of THE LIBRARY OF VIRGINIA

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics