| خلاصه مقاله | The Nipah virus (NiV), a member of the Henipavirus genus, sharing similarities with the
Hendra virus [1]. The emergence of NiV as a deadly zoonotic pathogen and sporadic human-to-human
transmission as well as the absence of specific treatments underscore the urgent need for comprehensive
vaccine design and development strategies to mitigate the potential threat of a future pandemic [2].
Urgency in rational vaccine development is underscored, necessitating the application of bioinformatics
advancements to meet the pressing need for timely and cost-effective approaches [3]. This study focuses
on computationally designing a candidate vaccine with potential broad-spectrum protection against the
NiV.This study revolves around the thorough immunoinformatics analysis of the Nipah virus's G and
F surface antigens. Through the utilization of machine learning (ML) algorithms for B-cell epitope
(BCE) identification, regions with significant potential were systematically pinpointed. Furthermore,
prediction of HLA class I and II-associated peptide binders (including B40:01, B44:03/02, A68:02/01,
A02:03/01, DRB101:01, DRB107:01) was conducted using the IEDB NXG standalone tool, and
analyzed with R language programming. Molecular docking and dynamic simulations (200 ns) using
ZDOCK and GROMACS software were employed to study the conformational changes and stability of
the designed vaccine in interaction with human immune cells, specifically anti-NiV Fab antibodies and
HLA molecules associated with resistance to NiV.The results from the ML-based analysis and
dynamics simulations showed that the immunodominant regions of the designed vaccine exhibit high-
affinity and stable interactions with anti-NiV Fab antibodies and the selected MHC-I/II molecules.
These identified regions serve as the basis for in silico vaccine design against the Nipah virus, ensuring
comprehensive immunoprotection. Our computational vaccine design strategy considers the dynamic
nature of viral proteins, harnessing the power of in silico methods to expedite the vaccine development
process. In silico epitope mapping and dynamic simulations revealed that the candidate vaccine can
form a more stable interaction with the specific antibodies and HLA molecules and will be useful in
experimental developing an anti-NiV candidate vaccine. |