Molecular docking based design of Dengue NS5 methyltransferase inhibitors.
Molecular docking based design of Dengue NS5 methyltransferase inhibitors. Bioinformation. 2019;15(6):394-401 Authors: Kausar MA, Ali A, Qiblawi S, Shahid S, Izhari MA, Saral A Abstract Dengue is a viral infection caused by RNA infection of the family Flaviviridae and spread by the Aedes mosquitoes. Dengue NS5 methyltransferase is a known drug target for the disease. Therefore, it is of interest to design potential inhibitors for the target using molecular docking analysis. Our analysis shows the binding of compounds STOCK1N-98943, STOCK1N-98872, STOCK1N-98956, STOCK1N-98865, and STOCK1N-98950 with the protein drug target with optimal binding features for further in vitro and in vivo evaluations. PMID: 31312076 [PubMed]
This study defines grp94 as a crucial host factor for flavivirus replication and identified CDDO-me as a potent small molecule inhibitor of flavivirus infection. Inhibition of grp94 may contribute to the antiviral activity of CDDO-me. Further investigation of grp94 inhibitors may lead to a new class of broad-spectrum anti-flaviviral medications.
Journal of Medicinal ChemistryDOI: 10.1021/acs.jmedchem.9b00698
Updated Date: Fri, 23 Aug 2019 00:00:00 EDT
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