Structural bioinformatics insights into the CARD-CARD interaction mediated by the mitochondrial antiviral-signaling protein of black carp

Ajaya K. Rout, Sheela R. Udgata, Budheswar Dehury, Smruti P. Pradhan, Himanshu S. Swain, Bijay K. Behera*, Basanta K. Das

*Corresponding author for this work

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

The innate immune system offers the first line of defense against invading microbial pathogens through the recognition of conserved pathogen-associated molecular patterns (PAMPs) by pattern recognition receptors (PRRs). The host innate immune system through PRRs, the sensors for PAMPs, induces the production of cytokines. Among different families of PRRs, the retinoic acid-inducible gene I (RIG-I)-like receptors (RLRs), and its mitochondrial adaptor ie, the mitochondrial antiviral-signaling (MAVS) protein, are crucial for RLR-triggered interferon (IFN) antiviral immunity. Recent studies have shown that the N-terminal caspase recruitment domain (CARD) and transmembrane domain play a pivotal role in oligomerization of black carp MAVS (BcMAVS), crucial for the host innate immune response against viral invasion. In this study, we have used molecular modeling, docking, and molecular dynamics (MD) simulation approaches to shed molecular insights into the oligomerization mechanism of BcMAVS CARD . MD simulation and interaction analysis portrayed that the type-I surface patches of BcMAVS CARD  make the major contribution to the interaction. Moreover, the evidence from surface patches and critical residues involved in the said interaction is found to be similar to that of the human counterpart and requires further investigation for legitimacy. Altogether, our study provided crucial information on oligomerization of BcMAVS CARDs and might be helpful for clarifying the innate immune response against pathogens and downstream signaling in fishes.

Original languageEnglish
JournalJournal of Cellular Biochemistry
Volume120
Issue number8
Pages (from-to)12534-12543
Number of pages10
ISSN0730-2312
DOIs
Publication statusPublished - 2019

Keywords

  • CARD-CARD interaction
  • Caspase recruitment domains
  • Mitochondrial antiviral-signaling protein
  • Molecular dynamics simulation
  • Principal component analysis

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