Fragment-based design of α-cyanoacrylates and α-cyanoacrylamides targeting Dengue and Zika NS2B/NS3 proteases-Reference-Cited by-同舟云学术

Fragment-based design of α-cyanoacrylates and α-cyanoacrylamides targeting Dengue and Zika NS2B/NS3 proteases

Published:2022 Issue:42 Volume:46 Page:20322-20346
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Vilela Gabriel Gomes¹²,Silva Wadja Feitosa dos Santos¹²^ORCID,Batista Vitoria de Melo²,Silva Leandro Rocha¹²,Maus Hannah³^ORCID,Hammerschmidt Stefan Josef³^ORCID,Costa Clara Andrezza Crisóstomo Bezerra⁴,Moura Orlando Francisco da Silva⁴,de Freitas Johnnatan Duarte⁴,Coelho Grazielle Lobo⁵^ORCID,Brandão Júlia de Andrade⁵^ORCID,Anderson Leticia⁵⁶^ORCID,Bassi Ênio José⁵^ORCID,Xavier de Araújo-Júnior João²^ORCID,Schirmeister Tanja³,Silva-Júnior Edeildo Ferreira da¹²^ORCID

Affiliation:

1. Institute of Chemistry and Biotechnology, Federal University of Alagoas, Lourival Melo Mota Avenue, AC. Simões campus, 57072-970, Maceió, Alagoas, Brazil

2. Laboratory of Medicinal Chemistry, Post-Graduation Program in Pharmaceutical Sciences, Institute of Pharmaceutical Sciences, Federal University of Alagoas, Lourival Melo Mota Avenue, AC. Simões Campus, 57072-970, Maceió, Alagoas, Brazil

3. Institute of Pharmaceutical and Biomedical Sciences, Johannes Gutenberg-University, Staudingerweg 5, 55128 Mainz, Germany

4. Department of Chemistry, Federal Institute of Alagoas, Maceió campus, Mizael Domingues Street, 57020-600, Maceió, Alagoas, Brazil

5. Immunoregulation Research Group, Laboratory of Research in Virology and Immunology, Institute of Biological and Health Sciences, Lourival Melo Mota Avenue, AC. Simões Campus, 57072-970, Maceió, Alagoas, Brazil

6. CESMAC University Center, 57051-160, Maceió, Alagoas, Brazil

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.

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2022/NJ/D2NJ01983C

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