X-Meeting presentations

AMAZONIAN BATS AND SARS-COV-2: IS THERE A POSSIBLE AFFINITY?

Published in 26/04/2022 - ISBN: 978-65-5941-645-5

Paper Title

AMAZONIAN BATS AND SARS-COV-2: IS THERE A POSSIBLE AFFINITY?

Authors

Marx Oliveira Lima
Mariana Costa Dias
Leonardo Trevelin
Santelmo Vasconcelos
Liliane Santana
Guilherme Oliveira
Desconhecido766

Modality

Xpress presentation

Subject area

Structural Bioinformatics

Publishing Date

26/04/2022

Country of Publishing

Brasil

Language of Publishing

Inglês

Paper Page

https://www.even3.com.br/anais/xmeetingxp2021/422053-amazonian-bats-and-sars-cov-2--is-there-a-possible-affinity

ISBN

978-65-5941-645-5

Keywords

Molecular Docking, molecular modeling, COVID-19

Summary

COVID-19, caused by SARS-CoV-2, is the most devastating pandemic since the Spanish flu in the 1920s. As seen in SARS and MERS, two other coronaviruses diseases, bats are implied as the primary source of the virus. In addition to the Chinese horseshoe bats, some animals might have acted as intermediate hosts, promoting the spillover to humans. An evaluation of the interaction affinity between the spike protein receptor-binding domain (RBD) of SARS-CoV-2 and the host’s angiotensin-converting enzyme 2 (ACE2) is a key step to assess the susceptibility to infection, since this binding is required for virus entry into the host cells. The increasing human occupation of new habitats may contribute to spread SARS-Cov-2 to wild animals, potentially creating novel disease reservoirs. Thus, we decided to evaluate the affinity interaction of the ACE2-RBD complex in three Amazonian bat species from Serra dos Carajás (State of Pará, Brazil): Lonchorhina aurita, Furipterus horrens, and Natalus macrourus. Since no public ACE2 sequences are available for these bats, we used RNAseq data from intestinal tissue samples of the three species, generated at Instituto Tecnológico Vale. Full-length transcript sequences were reconstructed by using a specific profile HMM, constructed with TABAJARA tool, as a seed for progressive assembly with GenSeed-HMM program. Protein sequences obtained by conceptual translation were used in phylogenetic analysis and confirmed the classification of these bats into different clades of Chiroptera. Structural analyses were performed with a crystal structure of SARS-CoV-2 spike receptor-binding domain bound with ACE2 (RCSB-PDB #6M0J), using ModWeb for the comparative modelling. We also tested ACE2 sequences from species that are susceptible (Neovison vison) or not (Mus musculus) to the infection. The stereochemical quality of the models was evaluated using the Ramachandran plot on the Zlab server, with reliable models expecting to have more than 90% of the amino acid residues in favourable or allowed regions. PROSA II was used to assess the folding quality of the models. Finally, molecular docking was performed with HADDOCK 2.4, where the active and passive residues of the interface were predicted through CPORT. Our results showed that all models have more than 96% of amino acids in favourable or allowed regions and optimal folding quality, similar to experimentally validated models. According to the HADDOCK score, there is a higher expected affinity between the F. horrens RBD-ACE2 complex (-27.1), followed by N. vison (-25.4 - positive control), L. aurita (-14.1), N. macrourus (-0.5), and M. musculus (19.2 - negative control). These preliminary findings support a potential susceptibility of Amazonian bats to SARS-CoV-2 infection and, if confirmed, they would corroborate some reports from Laos and Cambodia, where SARS-CoV-2 -like viruses were found in species of Rhinolophus, as well as Thailand, where neutralizing antibodies against SARS-CoV-2 were detected. Further molecular dynamics analyses will be performed to measure the affinity of the complex, as well as the bonds involved in this interaction. Our results suggested a potential risk of Amazonian bats becoming a natural disease reservoir, reinforcing the necessity of continuous virus surveillance in the wildlife of the Amazon region.

Title of the Event: X-Meeting XPerience 2021
Title of the Proceedings of the event: X-Meeting presentations
Name of the Publisher: Even3
Means of Dissemination: Meio Digital

How to cite

LIMA, Marx Oliveira et al.. AMAZONIAN BATS AND SARS-COV-2: IS THERE A POSSIBLE AFFINITY?.. In: X-Meeting presentations. Anais...São Paulo(SP) AB3C, 2021. Available in: https//www.even3.com.br/anais/xmeetingxp2021/422053-AMAZONIAN-BATS-AND-SARS-COV-2--IS-THERE-A-POSSIBLE-AFFINITY. Access in: 21/05/2025

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