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Structure-Based Virtual Screening of HDAC Proteins with Functional Evolutionary Analysis 以功能演化分析輔助 HDAC 蛋白的虛擬藥物篩選之研究
| Content Provider | Semantic Scholar |
|---|---|
| Author | Chen, Y. J. |
| Copyright Year | 2005 |
| Abstract | Computer-Aided Drug Design (CADD) is a new technique on drug discovery. Searching new lead compound with the virtual screening has been literally approved in many studies. Histone deacetylase (HDAC) is one of transcription regulation related enzymes. HDAC proteins play important roles in the regulation of cell proliferation. Recently, HDAC inhibitors are known for anti-cancer therapy. Consequently, we select HDAC proteins to study. In general procedures of virtual screening, the active sites of the target were searched first, and then potential compounds were found from the database to fit the active site. However, some active sites with functionalities may exist not in the position of the query result. This kind of mistake sometimes results in omission of some important potential compounds. In this paper, we firstly investigate function divergence sites of histone deacetylases (HDAC) proteins with evolutionary analysis and then the function divergence sites are used Computer-Aided Drug Design (CADD) to screen the 3D-structural of function divergence sites . This study will support the reduction of the omission of the active sites with evolutionary analysis for discovering the new lead compound that treat cancer, novel drug design and lead optimization. Keyword: Computer-Aided Drug Design (CADD), Virtual screening, lead compound, histone deacetylase (HDAC), Phylogenetic tree |
| File Format | PDF HTM / HTML |
| Alternate Webpage(s) | http://asiair.asia.edu.tw/bitstream/310904400/5476/1/BI12.pdf |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
