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filingDate 2020-07-24-04:00^^<http://www.w3.org/2001/XMLSchema#date>
inventor http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_a43fb6b74d6db88f4d95fd878c8e14e2
publicationDate 2020-11-17-04:00^^<http://www.w3.org/2001/XMLSchema#date>
publicationNumber CN-111951900-A
titleOfInvention Application of screening Glyburide as AIBP inhibitor based on molecular docking and molecular dynamics simulation
abstract The invention discloses an application of screening Glyburide as an AIBP inhibitor based on molecular docking and molecular dynamics simulation, which is used for inhibiting the interaction between AIBP and apoA-I so as to inhibit cholesterol from flowing out of cells. According to the invention, the structure of AIBP is obtained through homologous simulation, FDA certified drugs are virtually screened through molecular docking and molecular dynamics simulation based on the new use thought of old drugs, and Glyburide is found to be stably combined on the combination interface of AIBP and apoA-I. Or can inhibit the cholesterol from flowing out of the cell, and the new application of the Glyburide is excavated. The invention not only provides a new example for the rapid development of the AIBP targeted inhibitor, but also provides a new angle for Glyburide as a lipid metabolism medicament.
priorityDate 2020-07-24-04:00^^<http://www.w3.org/2001/XMLSchema#date>
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