Sulfur/selenium-functionalized benzotriazoles as multifunctional antivirals targeting Zika & Chikungunya
Luana S. Gomes a,* , Claudio C. Cirne-Santos b,c,d , Caroline de S. Barros b,c,e , Rafael R. Batista f,g , Matheus R. de P. Ignacio e , Aldo S. de Oliveira h , Célia M. Ronconi d , Izabel C. N. de Palmer Paixão *,b,c,f,g & Vanessa Nascimento a,*
a SupraSelen Laboratory, Department of Organic Chemistry, Universidade Federal Fluminense, Institute of Chemistry, Niterói, RJ, Brazil
b Postgraduate Program in Sciences and Biotechnology (PPBI), Universidade Federal Fluminense, Biology Institute, Niterói, RJ, Brazil
c Postgraduate Program in Marine Biotechnology, Federal Fluminense University, Biology Institute, Niterói, RJ, Brazil
d Department of Inorganic Chemistry, Federal Fluminense University, Niterói, RJ, Brazil
e Laboratory of Immunovirology, Department of Immunobiology, Federal Fluminense University, Biology Institute, Niterói, RJ, Brazil
f Laboratory of Molecular Virology and Marine Biotechnology, Department of Cellular and Molecular Biology, Federal Fluminense University, Biology Institute, Niterói, RJ, Brazil
g Pós-Graduação Stricto Sensu em Neurologia e Neurociências, Faculdade de Medicina, Universidade Federal Fluminense (UFF), Niterói, RJ, Brasil
h Gulbenkian Institute for Molecular Medicine (GIMM), Faculty of Medicine, University of Lisbon, Lisbon, Portugal
CONTACT Vanessa Nascimento mailto:nascimentovanessa@id.uff.br SupraSelen Laboratory, Department of Organic Chemistry, Universidade Federal Fluminense, Institute of Chemistry, Campus of Valonguinho, Niterói, RJ
24020-141, Brazil
Izabel C. N. de Palmer Paixão mailto:izabelpaixao@id.uff.br Programa de Pós-graduação em Ciências e Biotecnologia, Instituto de Biologia, Universidade Federal Fluminense, Niterói, RJ CEP 24210-201, Brazil; Departamento de Biologia Celular e Molecular, Instituto de Biologia, Universidade Federal Fluminense, Niterói, RJ CEP 24210-201, Brazil
Abstract
Aims Emerging arboviruses such as Zika virus (ZIKV) and Chikungunya virus (CHIKV) remain significant public health threats. This study aimed to evaluate the antiviral potential of six organochalcogen compounds against ZIKV and CHIKV.
Materials & methods
Compounds were assessed for cytotoxicity and antiviral activity in Vero cells. Antiviral effects were determined using plaque reduction assays, time-of-addition studies, viral adsorption, and virucidal assays. Molecular docking and density functional theory (DFT) calculations were performed to investigate interactions with viral targets and electronic properties.
Results Compounds 4, 7, 8, and 9 exhibited potent antiviral activity with low cytotoxicity, demonstrating effective inhibition of viral replication with half-maximal effective concentration (EC₅₀) values in the micromolar range and favorable selectivity indices. Mechanistic assays revealed that the compounds interfered with viral adsorption, exhibited virucidal effects, and inhibited multiple stages of the replication cycle. Docking studies confirmed strong binding to key viral enzymes, supported by HOMO (half-maximal effective concentration) – LUMO (lowest unoccupied molecular orbital) analysis.
Conclusions These findings highlight organochalcogen compounds as promising dual-action antiviral candidates with broad-spectrum activity against ZIKV and CHIKV. Further preclinical investigations are warranted to explore their therapeutic potential.
Keywords: Arboviruses, organochalcogens, antiviral, mechanism of action, molecular docking, viral replication.
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