Theoretical and Computational Chemistry

Structure-based computational approaches for characterization and functional elucidation of the fusion protein from Nipah henipavirus



Many epidemics of varying severity have triggered panic and devastation in the past. The Nipah virus has one of the world's highest fatality rates. The encephalitis resulting from acute respiratory distress has been fatal in some instances. Many factors influence the virus's genesis and spread. Developing new methods has improved personal hygiene awareness and surveillance over the contaminated area. An unidentified protein from Nipah henipavirus was the focus of this investigation. The secondary structure of the protein consists of a helix, a sheet, a turn, and a coil. Furthermore, the Ramachandran plot and the Z-score-based and local model quality assessment processes revealed the quality of the modeled protein structure. The protein can be used as a target for developing prospective antiviral medication and vaccine candidates.


Thumbnail image of Manuscript.pdf