Name
Title | ||
|---|---|---|
Identification of potential AMPK activator by pharmacophore modeling, molecular docking and QSAR study. |
Abstract | ||
|---|---|---|
•AMPK is a newly therapeutic target for metabolic diseases and we have built Pharmacophore as a fast tool for virtual screening.•In this study, ADMET filtering，molecular docking, QSAR analysis are applied to discover novel potential candidates.•The method of MD simulation is used to investigate the binding stability of AMPK with the potential candidates.•This study may be a reference for the development of AMPK activators and a foundation for further research. |
Year | DOI | Venue |
|---|---|---|
2019 | 10.1016/j.compbiolchem.2019.02.007 | Computational Biology and Chemistry |
Keywords | Field | DocType |
Pharmacophore modeling,Molecular docking,Quantitative structure–activity relationship (QSAR),Molecular dynamics,AMPK,Activator | Quantitative structure–activity relationship,Pharmacophore,Docking (molecular),Biology,Decoy,AMPK,Activator (genetics),Molecular dynamics,Computational biology,Genetics,Hydrogen bond | Journal |
Volume | ISSN | Citations |
79 | 1476-9271 | 0 |
PageRank | References | Authors |
0.34 | 3 | 9 |
Name | Order | Citations | PageRank |
|---|---|---|---|
| Yingying Li | 1 | 0 | 1.01 |
| Jiale Peng | 2 | 0 | 1.01 |
| Penghua Li | 3 | 3 | 3.42 |
| Haibo Du | 4 | 808 | 37.15 |
| Yaping Li | 5 | 0 | 1.35 |
| Xingyong Liu | 6 | 0 | 1.35 |
| Li Zhang | 7 | 0 | 1.69 |
| Liangliang Wang | 8 | 19 | 3.02 |
| Zhili Zuo | 9 | 2 | 2.75 |