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Abstract
Multidrug-resistant Vibrio parahaemolyticus has become a significant public health concern. The development of effective drugs and vaccines against Vibrio parahaemolyticus is the current research priority. Thus, we aimed to find out effective drug and vaccine targets using a comprehensive genome-based analysis. A total of 4822 proteins were screened from V. parahaemolyticus proteome. Among 16 novel cytoplasmic proteins, ‘VIBPA Type II secretion system protein L’ and ‘VIBPA Putative fimbrial protein Z’ were subjected to molecular docking with 350 human metabolites, which revealed that Eliglustat, Simvastatin and Hydroxocobalamin were the top drug molecules considering free binding energy. On the contrary, ‘Sensor histidine protein kinase UhpB’ and ‘Flagellar hook-associated protein of 25 novel membrane proteins were subjected to T-cell and B-cell epitope prediction, antigenicity testing, transmembrane topology screening, allergenicity and toxicity assessment, population coverage analysis and molecular docking analysis to generate the most immunogenic epitopes. Three subunit vaccines were constructed by the combination of highly antigenic epitopes along with suitable adjuvant, PADRE sequence and linkers. The designed vaccine constructs (V1, V2, V3) were analyzed by their physiochemical properties and molecular docking with MHC molecules- results suggested that the V1 is superior. Besides, the binding affinity of human TLR-1/2 heterodimer and construct V1 could be biologically significant in the development of the vaccine repertoire. The vaccine-receptor complex exhibited deformability at a minimum level that also strengthened our prediction. The optimized codons of the designed construct was cloned into pET28a(+) vector of E. coli strain K12. However, the predicted drug molecules and vaccine constructs could be further studied using model animals to combat V. parahaemolyticus associated infections.
Highlights
Vibrio parahaemolyticus, a highly reported pathogenic bacteria of aquatic environment, has emerged as the leading cause of seafood-associated gastroenteritis and a significanthazardfor global aquaculture [1,2,3]
Different computational approaches are being widely practiced to identify proteins those are essential for the survival of the pathogen and not involved in the metabolic pathways of the host, thereby choosing the proteins associated only in the metabolic pathways of the pathogen is important [38,87]
Subtractive genome approaches, and vaccinomics strategy were employed for identifying novel drug and vaccine molecules through the comprehensive proteome exploration of V. parahaemolyticus genome
Summary
A highly reported pathogenic bacteria of aquatic environment, has emerged as the leading cause of seafood-associated gastroenteritis and a significanthazardfor global aquaculture [1,2,3]. The sector has continuously been challenged by aquatic animal health problems, which is a significant constraint to the development of this sector [5]. The continuous and inappropriate use of antibiotics in the aquaculture industry favors the development of a variety of resistant isolates and the dissemination of resistance genes within the bacterial population [7]. V. parahaemolyticus has been reported to show multidrug resistance during aquaculture production [8], which raised the concern about public health and economic threat of this bacterium [9]
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