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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
Published on: June 20, 2025
Filovirus proteins for antiviral drug discovery: Structure/function of proteins involved in assembly and budding
Baptiste Martin1, Olivier Reynard2, Viktor Volchkov2
1Laboratoire Architecture et Fonction des Macromolécules Biologiques (AFMB), UMR7257 CNRS, Parc Scientifique de Luminy, Aix-Marseille Université, Marseille, France.
Abstract:
There are no approved medications for the treatment of Marburg or Ebola virus infection. In two previous articles (Martin et al., 2016, Martin et al., 2017), we reviewed surface glycoprotein and replication proteins structure/function relationship to decipher the molecular mechanisms of filovirus life cycle and identify antiviral strategies. In the present article, we recapitulate knowledge about the viral proteins involved in filovirus assembly and budding. First we describe the structural data available for viral proteins associated with virus assembly and virion egress and then, we integrate the structural features of these proteins in the functional context of the viral replication cycle. Finally, we summarize recent advances in the development of innovative antiviral strategies to target filovirus assembly and egress. The development of such prophylactic or post-exposure treatments could help controlling future filovirus outbreaks.
Insights
No approved treatments exist for Marburg or Ebola virus infections. This review focuses on viral proteins crucial for filovirus assembly and budding, exploring structural data and antiviral strategies to combat these deadly diseases.
Area of Science:
- Virology
- Structural Biology
- Infectious Diseases
Background:
- Marburg virus and Ebola virus infections are severe hemorrhagic fevers with no approved treatments.
- Previous research explored filovirus surface glycoprotein and replication proteins.
Purpose of the Study:
- To review viral proteins involved in filovirus assembly and budding.
- To integrate structural features of these proteins with their function in the viral replication cycle.
- To summarize novel antiviral strategies targeting filovirus assembly and egress.
Main Methods:
- Review of available structural data for viral proteins associated with virus assembly and virion egress.
- Integration of structural features into the functional context of the viral replication cycle.
- Summary of recent advances in antiviral strategy development.
Main Results:
- Detailed description of structural data for key viral assembly and egress proteins.
- Functional context of these proteins within the filovirus replication cycle.
- Identification of innovative antiviral targets.
Conclusions:
- Understanding filovirus assembly and egress mechanisms is critical for developing effective treatments.
- Targeting these processes offers promising avenues for prophylactic or post-exposure therapies.
- Advancements in this area could aid in controlling future filovirus outbreaks.
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