Authors: LIPSA PRIYADARSINEE, HIMAKSHI SARMA, G NARAHARI SASTRY
Year: 2022
Journal: J. Chem. Sci.
DOI: 10.1007/s12039-022-02110-9
Summary#
This paper investigates the molecular mechanism of interaction between Nipah and Hendra virus glycoproteins and human ephrin-B2 and B3 cell surface proteins using computational methods.
Key Findings#
- HeV/NiV glycoprotein with EFNB2 complex has more conformational stability and higher binding energy compared to EFNB3.
- During MD simulation, the number of H-bond formations was less in the case of EFNB3 complexes.
Methodology#
- Study Type: Computational
Topics#
Virology, Computation, Protein Interaction
Relevance#
The study could provide insights for designing peptide inhibitors to obstruct the interaction of viral glycoproteins with host proteins, thereby potentially inhibiting viral entry.