Glycoprotein attachment with host cell surface receptor ephrin B2 and B3 in mediating entry of nipah and hendra virus: a computational investigation

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.

Source

View the entire paper: File:12039 2022 Article 2110.pdf