http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-2021065841-A1

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filingDate 2018-10-24-04:00^^<http://www.w3.org/2001/XMLSchema#date>
inventor http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_78fcf6901c610d4dc11e9328f8981d6b
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publicationDate 2021-03-04-04:00^^<http://www.w3.org/2001/XMLSchema#date>
publicationNumber US-2021065841-A1
titleOfInvention Method for determining androgen and anti-androgen effects on substances
abstract The present invention provides a method of constructing a ligand-receptor protein complex to determine whether a substance has androgen or anti-androgen activity by utilizing the Surflex-Dock program of SYBYL to dock the ligand into the AR. Through the establishment of the binding model of dihydrotestosterone (DHT) and hydroxyflutamide (HFT) and AR, it is found the interaction is significantly weakened between other conformations to the H12 helix bound by other antagonists after simulation, which would reduce the stability of H12 helix, while the agonists can maintain the stability of H12. This method can be used to screen preliminarily different agonistic and antagonistic substances having a number of different structures.
priorityDate 2018-09-03-04:00^^<http://www.w3.org/2001/XMLSchema#date>
type http://data.epo.org/linked-data/def/patent/Publication

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