METHOD FOR DETERMINING A DRUG COMBINATION VIA A BLOCKING MODEL OF A MULTI-SITE-TARGETED PROTEIN AND APPLICATIONS THEREOF
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United States of America Patent
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Issued Date -
Jun 15, 2023
app pub date -
Dec 14, 2022
filing date -
Dec 14, 2021
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Abstract
Provided is a method for determining a drug combination targeting different sites of a protein or a protein complex, including: identifying a first binding site and a second binding site of the protein or the protein complex based on a three-dimensional structure thereof, wherein the first binding site and the second binding site are different sites in the three-dimensional structure of the protein or the protein complex; identifying a first drug interacting with the first binding site; identifying a second drug interacting with the second binding site; and combining the first drug and the second drug to provide at least one of a synergistic effect and an additive effect in suppressing an activity of the protein or the protein complex. Also provided is a method for treating a ATG4B-related disease or a 3C-like protease-related disease by the drug combination.
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