Issue 9, 2011
From the journal:

Chemical Science

Molecular docking for virtual screening of natural product databases

Dik-Lung Ma,*a   Daniel Shiu-Hin Chana  and  Chung-Hang Leung*b  

* Corresponding authors

a Department of Chemistry, Hong Kong Baptist University, Kowloon Tong, Hong Kong
E-mail: edmondma@hkbu.edu.hk

b Centre for Cancer and Inflammation Research, School of Chinese Medicine, Hong Kong Baptist University, Kowloon Tong, Hong Kong
E-mail: duncanl@hkbu.edu.hk

Abstract

Molecular docking enables the extraordinary structural diversity of natural products to be harnessed in an efficient manner. In this mini-review, we highlight recent examples of the use of molecular docking in virtual screening for the identification of bioactive molecules from natural product databases.

Graphical abstract: Molecular docking for virtual screening of natural product databases

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Article information

DOI
https://doi.org/10.1039/C1SC00152C
Article type
Minireview
Submitted
16 Mar 2011
Accepted
03 Jun 2011
First published
20 Jun 2011

Chem. Sci., 2011,2, 1656-1665

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Molecular docking for virtual screening of natural product databases

D. Ma, D. S. Chan and C. Leung, Chem. Sci., 2011, 2, 1656 DOI: 10.1039/C1SC00152C

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