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Author:

Aiman, Sara (Aiman, Sara.) | Alhamhoom, Yahya (Alhamhoom, Yahya.) | Ali, Fawad (Ali, Fawad.) | Rahman, Noor (Rahman, Noor.) | Rastrelli, Luca (Rastrelli, Luca.) | Khan, Asifullah (Khan, Asifullah.) | Farooq, Qurat ul Ain (Farooq, Qurat ul Ain.) | Ahmed, Abbas (Ahmed, Abbas.) | Khan, Asif (Khan, Asif.) | Li, Chunhua (Li, Chunhua.) (Scholars:李春华)

Indexed by:

Scopus SCIE

Abstract:

The emerging monkeypox virus (MPXV) is a zoonotic orthopoxvirus that causes infections in humans similar to smallpox. Since May 2022, cases of monkeypox (MPX) have been increasingly reported by the World Health Organization (WHO) worldwide. Currently, there are no clinically validated treatments for MPX infections. In this study, an immunoinformatics approach was used to identify potential vaccine targets against MPXV. A total of 190 MPXV-2022 proteins were retrieved from the ViPR database and subjected to various analyses including antigenicity, allergenicity, toxicity, solubility, IFN-gamma, and virulence. Three outer membrane and extracellular proteins were selected based on their respective parameters to predict B-cell and T-cell epitopes. The epitopes are conserved among different strains of MPXV and the population coverage is 100% worldwide, which will provide broader protection against various strains of the virus globally. Nine overlapping MHC-I, MHC-II, and B-cell epitopes were selected to design multi-epitope vaccine constructs linked with suitable linkers in combination with different adjuvants to enhance the immune responses of the vaccine constructs. Molecular modeling and structural validation ensured high-quality 3D structures of vaccine constructs. Based on various immunological and physiochemical properties and docking scores, MPXV-V2 was selected for further investigation. In silico cloning revealed a high level of gene expression for the MPXV-V2 vaccine within the bacterial expression system. Immune and MD simulations confirmed the molecular stability of the MPXV-V2 construct, with high immune responses within the host cell. These results may aid in the development of experimental vaccines against MPXV with increased potency and improved safety.

Keyword:

reverse vaccinology vaccine candidates immune simulation monkeypox virus molecular dynamic simulation multi-epitope vaccine construct

Author Community:

  • [ 1 ] [Aiman, Sara]Beijing Univ Technol, Fac Environm & Life Sci, Beijing, Peoples R China
  • [ 2 ] [Farooq, Qurat ul Ain]Beijing Univ Technol, Fac Environm & Life Sci, Beijing, Peoples R China
  • [ 3 ] [Li, Chunhua]Beijing Univ Technol, Fac Environm & Life Sci, Beijing, Peoples R China
  • [ 4 ] [Alhamhoom, Yahya]King Khalid Univ, Coll Pharm, Dept Pharmaceut, Abha, Saudi Arabia
  • [ 5 ] [Ali, Fawad]Hazara Univ, Dept Biochem, Mansehra, Pakistan
  • [ 6 ] [Rahman, Noor]Abdul Wali Khan Univ Mardan, Dept Biochem, Mardan, KP, Pakistan
  • [ 7 ] [Khan, Asifullah]Abdul Wali Khan Univ Mardan, Dept Biochem, Mardan, KP, Pakistan
  • [ 8 ] [Rastrelli, Luca]Univ Salerno, Dipartimento Farm, Via Giovanni Paolo 2, Fisciano, SA, Italy
  • [ 9 ] [Ahmed, Abbas]Abdul Wali Khan Univ Mardan, Dept Biotechnol, Mardan, Pakistan
  • [ 10 ] [Khan, Asif]Qurtaba Univ Sci & Informat Technol QUSIT Peshawar, Educ Dept, Peshawar, Pakistan

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Source :

FRONTIERS IN IMMUNOLOGY

ISSN: 1664-3224

Year: 2022

Volume: 13

7 . 3

JCR@2022

7 . 3 0 0

JCR@2022

ESI Discipline: IMMUNOLOGY;

ESI HC Threshold:55

JCR Journal Grade:1

CAS Journal Grade:2

Cited Count:

WoS CC Cited Count: 45

SCOPUS Cited Count: 43

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 12

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