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

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12 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 languageEnglish
JournalDatabase
Volume2014
DOIs
Publication statusPublished - Jan 1 2014
Externally publishedYes

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ASJC Scopus subject areas

  • Information Systems
  • Biochemistry, Genetics and Molecular Biology(all)
  • Agricultural and Biological Sciences(all)

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