TIPdb-3D: The three-dimensional structure database of phytochemicals from Taiwan indigenous plants

Chun Wei Tung; Ying Chi Lin; Hsun Shuo Chang; Chia Chi Wang; Ih Sheng Chen; Jhao Liang Jheng; Jih Heng Li

doi:10.1093/database/bau055

TIPdb-3D: The three-dimensional structure database of phytochemicals from Taiwan indigenous plants

Chun Wei Tung, Ying Chi Lin, Hsun Shuo Chang, Chia Chi Wang, Ih Sheng Chen, Jhao Liang Jheng, Jih Heng Li

Research output: Contribution to journal › Article › peer-review

28 Citations (Scopus)

Abstract

The rich indigenous and endemic plants in Taiwan serve as a resourceful bank for biologically active phytochemicals. Based on our TIPdb database curating bioactive phytochemicals from Taiwan indigenous plants, this study presents a three-dimensional (3D) chemical structure database named TIPdb-3D to support the discovery of novel pharmacologically active compounds. The Merck Molecular Force Field (MMFF94) was used to generate 3D structures of phytochemicals in TIPdb. The 3D structures could facilitate the analysis of 3D quantitative structure-activity relationship, the exploration of chemical space and the identification of potential pharmacologically active compounds using protein-ligand docking.

Original language	English
Journal	Database
Volume	2014
DOIs	https://doi.org/10.1093/database/bau055
Publication status	Published - Jan 1 2014
Externally published	Yes

ASJC Scopus subject areas

Information Systems
General Biochemistry,Genetics and Molecular Biology
General Agricultural and Biological Sciences

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abstract = "The rich indigenous and endemic plants in Taiwan serve as a resourceful bank for biologically active phytochemicals. Based on our TIPdb database curating bioactive phytochemicals from Taiwan indigenous plants, this study presents a three-dimensional (3D) chemical structure database named TIPdb-3D to support the discovery of novel pharmacologically active compounds. The Merck Molecular Force Field (MMFF94) was used to generate 3D structures of phytochemicals in TIPdb. The 3D structures could facilitate the analysis of 3D quantitative structure-activity relationship, the exploration of chemical space and the identification of potential pharmacologically active compounds using protein-ligand docking.",

author = "Tung, {Chun Wei} and Lin, {Ying Chi} and Chang, {Hsun Shuo} and Wang, {Chia Chi} and Chen, {Ih Sheng} and Jheng, {Jhao Liang} and Li, {Jih Heng}",

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doi = "10.1093/database/bau055",

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T2 - The three-dimensional structure database of phytochemicals from Taiwan indigenous plants

AU - Tung, Chun Wei

AU - Lin, Ying Chi

AU - Chang, Hsun Shuo

AU - Wang, Chia Chi

AU - Chen, Ih Sheng

AU - Jheng, Jhao Liang

AU - Li, Jih Heng

PY - 2014/1/1

Y1 - 2014/1/1

N2 - The rich indigenous and endemic plants in Taiwan serve as a resourceful bank for biologically active phytochemicals. Based on our TIPdb database curating bioactive phytochemicals from Taiwan indigenous plants, this study presents a three-dimensional (3D) chemical structure database named TIPdb-3D to support the discovery of novel pharmacologically active compounds. The Merck Molecular Force Field (MMFF94) was used to generate 3D structures of phytochemicals in TIPdb. The 3D structures could facilitate the analysis of 3D quantitative structure-activity relationship, the exploration of chemical space and the identification of potential pharmacologically active compounds using protein-ligand docking.

AB - The rich indigenous and endemic plants in Taiwan serve as a resourceful bank for biologically active phytochemicals. Based on our TIPdb database curating bioactive phytochemicals from Taiwan indigenous plants, this study presents a three-dimensional (3D) chemical structure database named TIPdb-3D to support the discovery of novel pharmacologically active compounds. The Merck Molecular Force Field (MMFF94) was used to generate 3D structures of phytochemicals in TIPdb. The 3D structures could facilitate the analysis of 3D quantitative structure-activity relationship, the exploration of chemical space and the identification of potential pharmacologically active compounds using protein-ligand docking.

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TIPdb-3D: The three-dimensional structure database of phytochemicals from Taiwan indigenous plants

Abstract

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