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

研究成果: 雜誌貢獻文章同行評審

14 引文 斯高帕斯(Scopus)

摘要

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.

原文英語
期刊Database
2014
DOIs
出版狀態已發佈 - 一月 1 2014
對外發佈Yes

ASJC Scopus subject areas

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

指紋 深入研究「TIPdb-3D: The three-dimensional structure database of phytochemicals from Taiwan indigenous plants」主題。共同形成了獨特的指紋。

引用此