Name
Title | ||
|---|---|---|
Novel group-based QSAR and combinatorial design of CK-1δ inhibitors as neuroprotective agents. |
Abstract | ||
|---|---|---|
In this study, a robust fragment based QSAR model was developed on a congeneric set of experimentally reported molecules and using combinatorial library approach, a series of molecules were generated from which we report two top scoring, CK-1δ inhibitors i.e., CHC (6-benzyl-2-cyclopropyl-4-{[(4-cyclopropyl-6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]methyl}j-3-fluorophenyl hydrogen carbonate) and DHC (6-benzyl-4-{[(4-cyclopropyl-6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]methyl}-2-(decahydronaphthalen-1-yl)-3-hydroxyphenyl hydrogen carbonate) with binding energy of -6.11 and -6.01 kcal/mol, respectively. |
Year | DOI | Venue |
|---|---|---|
2016 | 10.1186/s12859-016-1379-9 | BMC Bioinformatics |
Keywords | Field | DocType |
ALS,Amyotrophic lateral sclerosis,Casein kinase,Combinatorial library,QSAR,TDP-43 | Phosphorylation,Hyperphosphorylation,Gene isoform,Biology,Casein kinase 1,Protein superfamily,Serine,TAR DNA-Binding Protein 43,Casein Kinase Idelta,Bioinformatics | Journal |
Volume | Issue | ISSN |
17 | S-19 | 1471-2105 |
Citations | PageRank | References |
1 | 0.35 | 4 |
Authors | ||
7 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Kopal Joshi | 1 | 1 | 0.35 |
| Sukriti Goyal | 2 | 6 | 1.94 |
| Sonam Grover | 3 | 6 | 1.29 |
| Salma Jamal | 4 | 4 | 1.49 |
| Aditi Singh | 5 | 2 | 0.70 |
| Pawan Dhar | 6 | 1 | 0.35 |
| Abhinav Grover | 7 | 28 | 3.71 |