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Article

Design of inhibitors of thymidylate kinase from Variola virus as new selective drugs against smallpox.

European journal of medicinal chemistry - 16 Feb 2015

Guimarães Ana P, de Souza Felipe R, Oliveira Aline A, Gonçalves Arlan S, de Alencastro Ricardo B, Ramalho Teodorico C, França Tanos C C

Abstract excerpt

Recently we constructed a homology model of the enzyme thymidylate kinase from Variola virus (VarTMPK) and proposed it as a new target to the drug design against smallpox. In the present work, we used the antivirals cidofovir and acyclovir as reference compounds to choose eleven compounds as leads to the drug design of inhibitors for VarTMPK. Docking and molecular dynamics (MD) studies of the interactions of...

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PMID: 25458183
DOI: 10.1016/j.ejmech.2014.09.099

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