Journal of Advanced Medical Sciences and Applied Technologies

Journal of Advanced Medical Sciences and Applied Technologies

DFT and Molecular Docking Studies on Biological Active Acridines: the Interaction with Bovine Serum Albumin

Document Type : Original Articles

Authors
Ali Mohammad Amani
Saeed Gholamzadeh
Mohammad Zarenezhad
Abdorrasoul Malekpour
Ehsan Javidnezhad
a) Department of medical nanotechnology, school of advanced medical sciences and technologies, Shiraz University of Medical Sciences, Shiraz, Iran b) Department of chemistry Shiraz University of technology Shiraz Iran C)Pharmaceutical Sciences Research Center, Shiraz University of Medical Sciences, Shiraz, Iran
10.18869/nrip.jamsat.1.2.78
Abstract
Acridine derivatives, especially 1,8-dioxo-9-aryl-decahydroacridine represent significant scaffolds in medicinal chemistry. Given the biological properties of such products which are used in drug development, they need to have appropriate carrier. Proteins are generally used as helpful tools in drug delivery. Consequently, molecular docking between these compounds and bovine serum albumin (BSA) has been taken into account. Furthermore, in order to achieve better results, the suggested compounds have been optimized using Gaussian 03 software.
Keywords
DFT study
Molecular Docking
Biological active
Anti-tumor properties
BSA
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Journal of Advanced Medical Sciences and Applied Technologies
Volume 1, Issue 2 - Serial Number 2
5
December 2015
Pages 78-85