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Reverse vaccinology approach for multi-epitope centered vaccine design against delta variant of the SARS-CoV-2.
Jalal, Khurshid; Khan, Kanwal; Basharat, Zarrin; Abbas, Muhammad Naseer; Uddin, Reaz; Ali, Fawad; Khan, Saeed Ahmad; Hassan, Syed Shams Ul.
  • Jalal K; International Center for Chemical and Biological Sciences, HEJ Research Institute of Chemistry, University of Karachi, Karachi, Pakistan.
  • Khan K; Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi, Pakistan.
  • Basharat Z; Jamil-ur-Rahman Center for Genome Research, Dr. Panjwani Center for Molecular Medicine and Drug Research, ICCBS University of Karachi, Karachi, Pakistan.
  • Abbas MN; Department of Pharmacy, KUST, Khyber Pakhtunkhwa, Kohat, 26000, Pakistan.
  • Uddin R; Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi, Pakistan. mriazuddin@iccs.edu.
  • Ali F; Department of Pharmacy, KUST, Khyber Pakhtunkhwa, Kohat, 26000, Pakistan.
  • Khan SA; Department of Pharmacy, KUST, Khyber Pakhtunkhwa, Kohat, 26000, Pakistan.
  • Hassan SSU; Shanghai Key Laboratory for Molecular Engineering of Chiral Drugs, School of Pharmacy, Shanghai Jiao Tong University, Shanghai, 200240, People's Republic of China.
Environ Sci Pollut Res Int ; 29(40): 60035-60053, 2022 Aug.
Article in English | MEDLINE | ID: covidwho-1787858
ABSTRACT
The ongoing COVID-19 outbreak, initially identified in Wuhan, China, has impacted people all over the globe and new variants of concern continue to threaten hundreds of thousands of people. The delta variant (first reported in India) is currently classified as one of the most contagious variants of SARS-CoV-2. It is estimated that the transmission rate of delta variant is 225% times faster than the alpha variant, and it is causing havoc worldwide (especially in the USA, UK, and South Asia). The mutations found in the spike protein of delta variant make it more infective than other variants in addition to ruining the global efficacy of available vaccines. In the current study, an in silico reverse vaccinology approach was applied for multi-epitope vaccine construction against the spike protein of delta variant, which could induce an immune response against COVID-19 infection. Non-toxic, highly conserved, non-allergenic and highly antigenic B-cell, HTL, and CTL epitopes were identified to minimize adverse effects and maximize the efficacy of chimeric vaccines that could be developed from these epitopes. Finally, V1 vaccine construct model was shortlisted and 3D modeling was performed by refinement, docking against HLAs and TLR4 protein, simulation and in silico expression. In silico evaluation showed that the designed chimeric vaccine could elicit an immune response (i.e., cell-mediated and humoral) identified through immune simulation. This study could add to the efforts of overcoming global burden of COVID-19 particularly the variants of concern.
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Full text: Available Collection: International databases Database: MEDLINE Main subject: Viral Vaccines / COVID-19 Type of study: Experimental Studies Topics: Vaccines / Variants Limits: Humans Language: English Journal: Environ Sci Pollut Res Int Journal subject: Environmental Health / Toxicology Year: 2022 Document Type: Article Affiliation country: S11356-022-19979-1

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Full text: Available Collection: International databases Database: MEDLINE Main subject: Viral Vaccines / COVID-19 Type of study: Experimental Studies Topics: Vaccines / Variants Limits: Humans Language: English Journal: Environ Sci Pollut Res Int Journal subject: Environmental Health / Toxicology Year: 2022 Document Type: Article Affiliation country: S11356-022-19979-1