http://rdf.ncbi.nlm.nih.gov/pubchem/patent/CN-108399315-B
Outgoing Links
| Predicate | Object |
|---|---|
| classificationCPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16B15-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-50 |
| classificationIPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16C20-50 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16B15-00 |
| filingDate | 2018-03-01-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| grantDate | 2022-02-22-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationDate | 2022-02-22-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber | CN-108399315-B |
| titleOfInvention | Screening method of Bcr-Abl protein kinase inhibitor |
| abstract | The invention provides a screening method of a Bcr-Abl protein kinase inhibitor, which comprises the steps of firstly, docking small molecules which are obtained by grain similarity search and have high similarity with the known Bcr-Abl protein kinase inhibitor and a docking target, and then, scoring the intermolecular interaction of the docking conformation of the small molecules of the protein by a scoring function SPA to obtain an affinity value E; calculating the thermodynamic specificity ISR value and the kinetic specificity RT value of each small molecule and the docking target by combining the obtained affinity value E with a thermodynamic specificity and kinetic specificity formula, and finally obtaining the Bcr-Abl protein kinase inhibitor with the structure of the formula (I); the results show that the inhibitor obtained by the screening method has good inhibition effect on CML cells, has no toxicity on normal cells in a large concentration range, and has the effect of inhibiting CML variant tumors comparable to that of ponatinib. |
| priorityDate | 2018-03-01-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type | http://data.epo.org/linked-data/def/patent/Publication |
Incoming Links
Total number of triples: 22.