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10.3390/ijms22062815

http://scihub22266oqcxt.onion/10.3390/ijms22062815
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33802169!7998631!33802169
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suck abstract from ncbi


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pmid33802169      Int+J+Mol+Sci 2021 ; 22 (6): ä
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  • A Novel Computational Approach for the Discovery of Drug Delivery System Candidates for COVID-19 #MMPMID33802169
  • Cho T; Han HS; Jeong J; Park EM; Shim KS
  • Int J Mol Sci 2021[Mar]; 22 (6): ä PMID33802169show ga
  • In order to treat Coronavirus Disease 2019 (COVID-19), we predicted and implemented a drug delivery system (DDS) that can provide stable drug delivery through a computational approach including a clustering algorithm and the Schrodinger software. Six carrier candidates were derived by the proposed method that could find molecules meeting the predefined conditions using the molecular structure and its functional group positional information. Then, just one compound named glycyrrhizin was selected as a candidate for drug delivery through the Schrodinger software. Using glycyrrhizin, nafamostat mesilate (NM), which is known for its efficacy, was converted into micelle nanoparticles (NPs) to improve drug stability and to effectively treat COVID-19. The spherical particle morphology was confirmed by transmission electron microscopy (TEM), and the particle size and stability of 300-400 nm were evaluated by measuring DLSand the zeta potential. The loading of NM was confirmed to be more than 90% efficient using the UV spectrum.
  • |*COVID-19 Drug Treatment[MESH]
  • |A549 Cells[MESH]
  • |Anti-Inflammatory Agents/chemistry/therapeutic use[MESH]
  • |Benzamidines/chemistry/therapeutic use[MESH]
  • |Cell Survival/drug effects[MESH]
  • |Cluster Analysis[MESH]
  • |Computational Biology/*methods[MESH]
  • |Computer Simulation[MESH]
  • |Databases, Pharmaceutical[MESH]
  • |Drug Carriers/chemistry[MESH]
  • |Drug Delivery Systems/*methods[MESH]
  • |Drug Repositioning[MESH]
  • |Drug Stability[MESH]
  • |Glycyrrhizic Acid/chemistry/therapeutic use[MESH]
  • |Guanidines/chemistry/therapeutic use[MESH]
  • |Humans[MESH]
  • |Hydrophobic and Hydrophilic Interactions[MESH]
  • |Micelles[MESH]
  • |Microscopy, Electron, Transmission[MESH]
  • |Molecular Structure[MESH]
  • |Nanoparticles/chemistry[MESH]


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