4.8 Article

Molecular docking for virtual screening of natural product databases

期刊

CHEMICAL SCIENCE
卷 2, 期 9, 页码 1656-1665

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ROYAL SOC CHEMISTRY
DOI: 10.1039/c1sc00152c

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  1. Hong Kong Baptist University [FRG2/09-10/070, FRG2/10-11/008]
  2. Centre for Cancer and Inflammation Research, School of Chinese Medicine (CCIR-SCM, HKBU)
  3. Hong Kong Anti-Cancer Society (HKACS)

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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.

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