Virtual Prediction of King Cobra (Ophiophagus hannah) Neurotoxin Epitopes for Vaccine-Based Antitoxin Development

The King Cobra (Ophiophagus hannah) possesses a highly neurotoxic venom where long-chain neurotoxins (LNTX) are the primary lethal components. Current antivenoms, such as OHMAV and SABU, have constrained efficacy and regional availability, highlighting the need for innovative solutions. This study aimed to computationally predict conserved and immunogenic epitopes from LNTX proteins for vaccine development. Using IEDB tools and ProtParam, potential epitopes were screened for immunogenicity, conservancy, physicochemical properties, and their MHC-II (HLA-DRB1*07:01) binding affinity was analyzed. Three lead epitopes were identified, namely 26-WCDGFCSSRGKRIDL-40, 27-CDGFCSSRGKRIDLG-41, and 25-TWCDGFCSSRGKRID-39. These candidates demonstrated low allergenicity, favorable physicochemical properties, and broad population coverage. Structural analysis confirmed that the epitopes, connected by a linker, docked stably with the MHC-II molecule. This interaction remained stable throughout a 20 ns molecular dynamics simulation. These results provide a robust foundation for developing a novel, epitope-targeted vaccine against king cobra venom, offering a promising alternative to traditional antivenoms.