In Silico Analysis of Honeybee Venom Protein Interaction with Wild Type and Mutant (A82V + P375S) Ebola Virus Spike Protein

Muhammad Muzammal,Arshad Farid,Abdulkhaliq Alsalman,Maitham Hawaj,Muzammil Khan,Mohammed Mohaini

doi:10.3390/biologics2010003

Abstract

Venom from different organisms was used in ancient times to treat a wide range of diseases, and to combat a variety of enveloped and non-enveloped viruses. The aim of this in silico research was to investigate the impact of honeybee venom proteins and peptides against Ebola virus. In the current in silico study, different online and offline tools were used. RaptorX (protein 3D modeling) and PatchDock (protein–protein docking) were used as online tools, while Chimera and LigPlot + v2.1 were used for visualizing protein–protein interactions. We screened nine venom proteins and peptides against the normal Ebola virus spike protein and found that melittin, MCD and phospholipase A2 showed a strong interaction. We then screened these peptides and proteins against mutated strains of Ebola virus and found that the enzyme phospholipase A2 showed a strong interaction. According to the findings, phospholipase A2 found in honeybee venom may be an effective source of antiviral therapy against the deadly Ebola virus. Although the antiviral potency of phospholipase A2 has been recorded previously, this is the first in silico analysis of honeybee phospholipase A2 against the Ebola viral spike protein and its more lethal mutant strain.

Highlights

Venom is a toxic substance, which has a variety of different compounds, i.e., enzymes, peptides, amines, small organic molecules, alkaloids, minerals and salts
We examined the interaction of honeybee venom proteins, i.e., apamin, melittin, mast cell degranulating (MCD), secapin, alkaline phosphatase, alpha-glucosidase, hyaluronidase, phospholipase B-like and phospholipase A2, with the normal viral protein
Among all the tested honeybee venom proteins, two peptides, i.e., MCD and melittin, and phospholipase A2 showed a strong interaction with the normal Ebola virus (EBOV) spike protein, and we further investigated these three (i.e., MCD, melittin and phospholipase A2) proteins and checked their interaction with the mutant and more virulent strain of EBOV, i.e., A82V + P335S

Summary

Introduction

Venom is a toxic substance, which has a variety of different compounds, i.e., enzymes, peptides, amines, small organic molecules, alkaloids, minerals and salts. There are a variety of organisms that contain venom, i.e., insects, fish, reptiles, jellyfish, gastropods, echinoderms, amphibians, sea anemones, centipedes, cephalopods and five mammalian species. The composition of venom and its delivery system and their respective targets can be different from species to species [1,2]. Venom is present in different species of insect, but among them, honeybees, wasps and ants belong to the Hymenoptera order and are classified as venomous insects. Numerous parasitoid wasps of the paraphyletic suborder use their terebra (stinging organ) to transfer their eggs outside or inside the body of invertebrate hosts. Depending on the type of venom and its host, venom can affect the host’s immunity, physiology, capacity to reproduce, mobility and behavior [2,3]

Methods

Discussion

Conclusion