New triazole triterpene derivative exhibits anti-RSV activity synthesis biological evaluation and molecular modeling

  1. Elenilson Figueiredo da SilvaORCID Logo,
  2. Krist Helen Antunes Fernandes,
  3. Denise DiedrichORCID Logo,
  4. Jessica GotardiORCID Logo,
  5. Marcia Silvana Freire FrancoORCID Logo,
  6. Carlos Henrique Tomich de P da SilvaORCID Logo,
  7. Ana Paula Duarte de Souza and
  8. Simone Cristina Baggio Gnoatto

Submitting author affiliation: Universidade Federal do Rio Grande do Sul, Porto Alegre, Brazil

Beilstein Arch. 2022, 202231. https://doi.org/10.3762/bxiv.2022.31.v1

Published 29 Apr 2022

  • Preprint

Abstract

Respiratory syncytial virus (RSV) is a major cause of acute lower respiratory tract infections in infants. Currently, ribavirin, a nucleoside analog containing 1,2,4-triazole-3-carboxamide moiety, is a first-line drug for its treatment, however, its clinical use has been limited due to its side effects. Here, we designed a new aryl-nitro-1,2,3-triazole triterpenes derivatives as novel anti-RSV drugs. Their anti-RSV and cytotoxic activity were evaluated in vitro, RSV protein F gene effects by RT-PCR and molecular modeling IMPDH enzyme was performed. Compound 8 was the best performing compound, with EC50 values of 0.053μM and a TI of 11160.37 and it inhibited hRSV protein F gene expression by approximately 65%. Molecular docking showed a top-ranked solution located in the same region occupied by crystallographic ligands in their complex with IMPDH. The results obtained in this study suggests that compound 8 might be a new anti- candidate.

Keywords: Antiviral, bioisosterism, respiratory syncytial virus, triterpene, betulinic acid, ursolic acid.

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When a peer-reviewed version of this preprint is available, this information will be updated in the information box above. If no peer-reviewed version is available, please cite this preprint using the following information:

da Silva, E. F.; Fernandes, K. H. A.; Diedrich, D.; Gotardi, J.; Franco, M. S. F.; da Silva, C. H. T. D. P.; de Souza, A. P. D.; Gnoatto, S. C. B. Beilstein Arch. 2022, 202231. doi:10.3762/bxiv.2022.31.v1

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