Molecular docking for virtual screening of natural product databases

Dik Lung Ma; Daniel Shiu Hin Chan; Chung Hang Leung

doi:10.1039/c1sc00152c

Molecular docking for virtual screening of natural product databases

Dik Lung Ma^*
, Daniel Shiu Hin Chan
, Chung Hang Leung

^*Corresponding author for this work

Department of Chemistry

Research output: Contribution to journal › Review article › peer-review

175 Citations (Scopus)

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.

Original language	English
Pages (from-to)	1656-1665
Number of pages	10
Journal	Chemical Science
Volume	2
Issue number	9
DOIs	https://doi.org/10.1039/c1sc00152c
Publication status	Published - Sept 2011

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10.1039/c1sc00152c

Cite this

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title = "Molecular docking for virtual screening of natural product databases",

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.",

author = "Ma, \{Dik Lung\} and Chan, \{Daniel Shiu Hin\} and Leung, \{Chung Hang\}",

note = "This work is supported by the Hong Kong Baptist University (FRG2/09-10/070 and FRG2/10-11/008), Centre for Cancer and Inflammation Research, School of Chinese Medicine (CCIRSCM, HKBU) and The Hong Kong Anti-Cancer Society (HKACS) Research Grant.",

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AU - Chan, Daniel Shiu Hin

AU - Leung, Chung Hang

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PY - 2011/9

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N2 - 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.

AB - 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.

UR - https://www.scopus.com/pages/publications/81355161288

U2 - 10.1039/c1sc00152c

DO - 10.1039/c1sc00152c

M3 - Review article

AN - SCOPUS:81355161288

SN - 2041-6520

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SP - 1656

EP - 1665

JO - Chemical Science

JF - Chemical Science

IS - 9

ER -

Molecular docking for virtual screening of natural product databases

Abstract

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