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: Brasil, D.S.B (Author), Costa, R.A.D.A (Author), da Costa, A.S.S (Author), da Rocha, E.C.M (Author), da Rocha, J.A.P (Author), da Silva Gonçalves, A. (Author), Josino, L.P.C (Author), Lima, A.H.L (Author), Pinheiro, A.S (Author)
Format: Article
Language:English
Published: Serbian Chemical Society 2022
Subjects:
binding free energy calculations
consensual docking
molecular dynamics
NS2B/NS3pro
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