In silico identification of novel allosteric inhibitors of Dengue virus NS2B/NS3 serine protease

In silico identification of novel allosteric inhibitors of Dengue virus NS2B/NS3 serine protease

Although dengue is a disease that affects more than 100 countries and puts almost 400 million lives at risk each year, there is no approved antiviral in the treatment of this pathology. In this context, proteases are potential biological targets since they are essential in the replication process of...

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Bibliographic Details
Main Authors: da Costa Renato A., da Rocha João A.P., Pinheiro Alan S., da Costa Andréia S.S., da Rocha Elaine C.M., Josino Luiz P.C., da Gonçalves Arlan Silva, Lima Anderson H.L., Brasil Davi S.B.
Format: Article
Language:English
Published: Serbian Chemical Society 2022-01-01
Series:Journal of the Serbian Chemical Society
Subjects:
ns2b/ns3pro
consensual docking
molecular dynamics
binding free energy calculations
Online Access:http://www.doiserbia.nb.rs/img/doi/0352-5139/2022/0352-51392200011C.pdf

Internet

http://www.doiserbia.nb.rs/img/doi/0352-5139/2022/0352-51392200011C.pdf

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