Fragment-based design of α-cyanoacrylates and α-cyanoacrylamides targeting Dengue and Zika NS2B/NS3 proteases
Gabriel Gomes Vilela, Wadja Feitosa dos Santos Silva, Vitoria de Melo Batista, Leandro Rocha Silva, Hannah Maus, Stefan Hammerschmidt, Clara Andrezza Crisóstomo Bezerra Costa, Orlando Francisco da Silva Moura, Johnnatan Duarte de Freitas, Grazielle Lobo Coelho, Júlia de Andrade Brandão, Letícia Anderson, Ênio José Bassi, João Xavier de Araújo‐Júnior, Tanja Schirmeister, Edeildo Ferreira da Silva‐Júnior
Abstract
In this study, a virtual FBDD approach was used to develop new cyanoacrylamides with activity against DENV and ZIKV NS2B/NS3 proteases, in which the best candidate was able to reduce the virus RNA copies.
Topics & Concepts
ChemistryProteasesNS3Structural proteinDengue virusDengue feverZika virusVirologyProteaseVirusBiochemistryEnzymeBiologyGeneMosquito-borne diseases and controlHIV/AIDS Research and InterventionsHIV Research and Treatment