Computer aided novel antigenic epitopes selection from the outer membrane protein sequences of Aeromonas hydrophila and its analyses

Bhattacharya, Manojit; Sharma, Ashish Ranjan; Sharma, Garima; Patra, Prasanta; Mondal, Niladri; Patra, Bidhan Chandra; Lee, Sang-Soo; Chakraborty, Chiranjib

doi:10.1016/j.meegid.2020.104320

Cited by 18 publications

(6 citation statements)

References 52 publications

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“…Therefore, the current research is focused on the development of an MVD multi epitope-based peptide vaccine. The fundamental benefit of an epitope-based vaccine is that it can elicit targeted immune responses against epitopes, improve binding affinity with target receptor molecules, and hence prevent non-epitope selection [46][47][48].…”

Section: Discussionmentioning

confidence: 99%

Immunoinformatic Guided Rational Design of a Next Generation Multi Epitope Based Peptide Vaccine against Marburg Virus Disease Combined with Molecular Docking Studies

Mustafa¹,

Shantier²

2022

Preprint

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Marburg virus disease (MVD) is a hemorrhagic fever and cause death up to 88% of people and is the same as Ebola virus, It is transmitted through skin contact or mucous membrane in the eyes, nose or mouth with blood or body fluids like urine, saliva sweat, feces and by object contaminated with body fluids. Despite these facts, yet there is no approved vaccine have been developed for the eradication of Marburg virus infections. Therefore, this study described a multi epitope-based peptide vaccine against Marburg virus viral protein 35, using several immunoinformatics tools combined with molecular docking studies. Utilizing Vaxijen 2.0 server, the V35 protein revealed to be antigenic with a score of 0.4316. Prediction of the T-cell and B-cell epitopes was then conducted. RTFDAFLGV epitope was found to be the most promising one with binding affinity to the highest numbers of MHC I alleles, a positive score in the Class I immunogenicity study and non-allergen. These results were further confirmed by the good interaction of RTFDAFLGV to the groove of HLA-A*02:01 with binding energy of -8.1 kcal/mole. Finally, the vaccine was cloned in silico to ensure its validity and efficiency of expression. To ensure its safety and immunogenic profile, in-vitro and in-vivo bioassays are recommended to confirm these findings.

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Section: Discussionmentioning

confidence: 99%

Immunoinformatic Guided Rational Design of a Next Generation Multi Epitope Based Peptide Vaccine against Marburg Virus Disease Combined with Molecular Docking Studies

Mustafa¹,

Shantier²

2022

Preprint

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“…Multiple epitopes are highly recommended because of their cost-effectiveness, and higher e ciency [25]. Different multi-epitope vaccines are developed against bacteria such as Klebsiella pneumonia [26], Aeromonas hydrophilla [27], Helicobacter pylori [28], and so on. Due to the e ciency of these vaccines, the multi-epitope-based vaccine was designed against F. tularensis.…”

Section: Discussionmentioning

confidence: 99%

Immunoinformatics and structural vaccinology approach to design a Multi-Epitope Subunit Vaccine against Francisella tularensis through In Silico modeling

Hayat

Sikandar

Shahab

et al. 2022

Preprint

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BackgroundFrancisella tularensis is a category A pathogen with the maximum infectious and death rates, demanding the development of a vaccine. In the last eight years, growing interest in F. tularensis has resulted in the generation of data about the pathogen and its host binding method. So far, extensive information is available, but there is no authorized vaccination on the market.MethodUsing in silico techniques, present study design to develop multi-epitope vaccine. From F. tularensis, B-cell and T-cell epitopes were predicted to design a vaccine. The selection of epitope was selected on basis of lower percentile score, antigenicity, Non-toxicity, and immunogenicity scores. The 193 amino-acid long vaccine construct was obtained by joining the epitopes through EAAAK, CPGPG and AAY Linkers.ResultOur vaccine represented overall the good stability, expression, immunostimulatory capabilities and solubility. Moreover, molecular docking and MD simulation exhibited strong interaction and stability of polypeptide vaccine construct. Conclusion:Design vaccine was verified as efficient in different computer-based immune response investigations and population coverage was good. But designed vaccines require scientific consensus and require in vitro experimental work also.

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“…Formerly, a plethora of multi-epitope vaccines has been conceived using computational tools against several bacterial infections such as Helicobacter pylori (Ghosh et al 2021 ), Klebsiella pneumoniae (Dar et al 2019 ), Pseudomonas aeruginosa (Solanki et al 2019 ), Vibrio cholerae (Nezafat et al 2016 ), Shigella spp. (Nosrati et al 2019 ), Brucella (Saadi et al 2017 ), Aeromonas hydrophilla (Bhattacharya et al 2020 ), Prostate cancer (Patra et al 2020 ) and many others. Considering the impact and efficacy of these vaccines, we followed a similar approach to design a multi-epitope based vaccine to thwart infections instigated by A. baumannii .…”

Section: Discussionmentioning

confidence: 99%

In-Silico Vaccine Design Based on a Novel Vaccine Candidate Against Infections Caused by Acinetobacter baumannii

Khalid

Irum

Ullah

et al. 2021

Int J Pept Res Ther

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Acinetobacter baumannii is notorious for causing serious infections of the skin, lungs, soft tissues, bloodstream, and urinary tract. Despite the overwhelming information available so far, there has still been no approved vaccine in the market to prevent these infections. Therefore, this study focuses on developing a rational vaccine design using the technique of epitope mapping to curb the infections caused by A . baumannii . An outer membrane protein with immunogenic potential as well as all the properties of a good vaccine candidate was selected and used to calculate epitopes for selection on the basis of a low percentile rank, high binding scores, good immunological properties, and non-allergenicity. Thus, a 240 amino-acid vaccine sequence was obtained by manually joining all the epitopes in sequence-wise manner with the appropriate linkers, namely AAY, GPGPG, and EAAAK. Additionally, a 50S ribosomal protein L7/L12, agonist to the human innate immune receptors was attached to the N-terminus to increase the overall immune response towards the vaccine. As a result, enhanced overall protein stability, expression, immunostimulatory capabilities, and solubility of the designed construct were observed. Molecular dynamic simulations revealed the compactness and stability of the polypeptide construct. Moreover, molecular docking exhibited strong binding of the designed vaccine with TLR-4 and TLR-9. In-silico immune simulations indicated an immense increment in T-cell and B-cell populations. Bioinformatic tools also significantly assisted with optimizing codons which allowed for successful cloning of constructs into desired host vectors. Using in-silico tools to design a vaccine against A . baumannii demonstrated that this construct could pave the way for successfully combating infections caused by multidrug-resistant bacteria. Supplementary Information The online version contains supplementary material available at 10.1007/s10989-021-10316-7.

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Computer aided novel antigenic epitopes selection from the outer membrane protein sequences of Aeromonas hydrophila and its analyses

Cited by 18 publications

References 52 publications

Immunoinformatic Guided Rational Design of a Next Generation Multi Epitope Based Peptide Vaccine against Marburg Virus Disease Combined with Molecular Docking Studies

Immunoinformatic Guided Rational Design of a Next Generation Multi Epitope Based Peptide Vaccine against Marburg Virus Disease Combined with Molecular Docking Studies

Immunoinformatics and structural vaccinology approach to design a Multi-Epitope Subunit Vaccine against Francisella tularensis through In Silico modeling

In-Silico Vaccine Design Based on a Novel Vaccine Candidate Against Infections Caused by Acinetobacter baumannii

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