In silico approaches to Zika virus drug discovery

Expert Opinion on Drug Discovery
Alessandro SinigagliaLuisa Barzon

Abstract

After the WHO declared Zika virus (ZIKV) as a public health emergency of international concern, intense research for the development of vaccines and drugs has been undertaken, leading to the development of several candidates. Areas covered: This review discusses the developments achieved so far by computational methods in the discovery of candidate compounds targeting ZIKV proteins, i.e. the envelope and capsid structural proteins, the NS3 helicase/protease, and the NS5 methyltransferase/RNA-dependent RNA polymerase. Expert opinion: Research for effective drugs against ZIKV is still in a very early discovery phase. Notwithstanding the intense efforts for the development of new drugs and the identification of several promising candidates by using different approaches, including computational methods, so far only a few candidates have been experimentally tested. An important caveat of anti-flavivirus drug development is represented by the difficult of reproducing the in vivo microenvironment of the replication complex, which may lead to discrepancies between in vitro results and experimental evaluation in vivo. Moreover, anti-ZIKV drugs have the additional requirement of an excellent safety profile in pregnancy and ability to dif...Continue Reading

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Citations

Nov 16, 2018·Expert Opinion on Investigational Drugs·Yingshan Han, Thibault Mesplède
Feb 6, 2020·Expert Opinion on Drug Discovery·Alessandro SinigagliaLuisa Barzon
Jun 4, 2020·Scientific Reports·Nikhil PathakJinn-Moon Yang
Apr 4, 2021·Vaccines·Judith Estévez-HerreraAgustín Valenzuela-Fernández
Jan 28, 2020·Journal of Chemical Information and Modeling·Felipe R S SantosJaqueline M S Ferreira

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