Name
Abstract | ||
|---|---|---|
A Summary: Drug discovery targeting G protein-coupled receptors (GPCRs), the largest known class of therapeutic targets, is challenging. To facilitate the rapid discovery and development of GPCR drugs, we built a system, PanGPCR, to predict multiple potential GPCR targets and their expression locations in the tissues, side effects and possible repurposing of GPCR drugs. With PanGPCR, the compound of interest is docked to a library of 36 experimentally determined crystal structures comprising of 46 docking sites for human GPCRs, and a ranked list is generated from the docking studies to assess all GPCRs and their binding affinities. Users can determine a given compound's GPCR targets and its repurposing potential accordingly. Moreover, potential side effects collected from the SIDER (Side-Effect Resource) database and mapped to 45 tissues and organs are provided by linking predicted off-targets and their expressed sequence tag profiles. With PanGPCR, multiple targets, repurposing potential and side effects can be determined by simply uploading a small ligand. |
Year | DOI | Venue |
|---|---|---|
2021 | 10.1093/bioinformatics/btaa766 | BIOINFORMATICS |
DocType | Volume | Issue |
Journal | 37 | 8 |
ISSN | Citations | PageRank |
1367-4803 | 0 | 0.34 |
References | Authors | |
0 | 6 | |
Name | Order | Citations | PageRank |
|---|---|---|---|
| Lu-Chi Liu | 1 | 0 | 0.34 |
| Ming-Yang Ho | 2 | 0 | 0.34 |
| Bo-Han Su | 3 | 47 | 6.57 |
| San-Yuan Wang | 4 | 0 | 0.34 |
| Ming-Tsung Hsu | 5 | 34 | 4.10 |
| Y. Jane Tseng | 6 | 1 | 1.15 |