http://rdf.ncbi.nlm.nih.gov/pubchem/patent/CN-102156823-B
Outgoing Links
| Predicate | Object |
|---|---|
| assignee | http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_b4711b7defc1422cdb7f86d2c95657bf |
| classificationIPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06F19-10 |
| filingDate | 2011-02-18-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| grantDate | 2015-04-22-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor | http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_1635cac3bae1206f4419e7f019777c68 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_2f819984b5439902b30294db8de891dc http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_1b28ad5427f543e400f156e729738231 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_8664c4d3196b3ad5c65b9039ef30829f http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_c543ee53d8cf76b9529e76c7de13bd9d |
| publicationDate | 2015-04-22-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber | CN-102156823-B |
| titleOfInvention | Method for screening compound with targeted action on inactive conformation of protein kinase |
| abstract | The invention belongs to the technical field of protein structure prediction and drug molecule virtual screening, specifically to a method for screening a compound with targeted action on an inactive conformation of a protein kinase. The method provided by the invention comprises a prediction method for the conformation of an active chain section of the protein kinase, wherein a corresponding DFG-out inactive conformation is generated from the DFG-in active conformation of the protein kinase; the method also comprises a selection method of a combined conformation after implementing butt joint of a II type inhibitor, and the selection method is used for selecting small molecules in conformation prediction and virtual screening. The method for screening a compound with targeted action on an inactive conformation of a protein kinase is already calculated and verified in the protein kinases of seven types of known inactive conformations, wherein the success rate is close to 96%. The method provided by the invention is already applied to the prediction of inactive conformation of PknB protein kinase of tubercle bacillus and the virtual screening of a possible II type inhibitor of PknB, and the bacteriostasis of two kinds of small molecules are already found according to bacteriostatic experiments. |
| priorityDate | 2011-02-18-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type | http://data.epo.org/linked-data/def/patent/Publication |
Incoming Links
Total number of triples: 50.