http://rdf.ncbi.nlm.nih.gov/pubchem/patent/CN-113593647-A
Outgoing Links
| Predicate | Object |
|---|---|
| assignee | http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_0ee33b0e3e7398cf6fc957eeee59d510 |
| classificationCPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C10-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16B15-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16B35-20 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16B5-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-50 |
| classificationIPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16B15-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16B5-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16C20-50 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16C10-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16B35-20 |
| filingDate | 2021-07-23-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor | http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_19a1d97ec0777984efba6a134a0ca743 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_e3e58ab78c221bf3e28d5bcb99732cc6 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_f391de6291650fb43ad2d18d65a713a0 |
| publicationDate | 2021-11-02-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber | CN-113593647-A |
| titleOfInvention | Estradiol derivative screening method for solid-phase recognition of estrogen receptor |
| abstract | The invention discloses a method for screening estradiol derivatives of an estrogen receptor by solid-phase recognition. The method comprises the following steps: based on the crystal conformation of the estradiol-estrogen receptor LBD compound, carrying out computer simulation analysis on the binding capacity of estradiol derivatives with different structures and the estrogen receptor LBD by using molecular docking, and screening out the estradiol derivatives meeting the preset requirements; and (3) analyzing the structural stability and energy change of the screened estradiol derivatives by adopting molecular dynamics simulation, and screening the derivatives with specificity and high affinity with an estrogen receptor LBD. The invention can screen out the derivative with high specificity and high affinity with the estrogen receptor, thereby shortening the time for combining the solid-phase estradiol with the estrogen receptor and increasing the combination stability in an in vitro environment. |
| priorityDate | 2021-07-23-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type | http://data.epo.org/linked-data/def/patent/Publication |
Incoming Links
Total number of triples: 43.