PMID- 33633155 OWN - NLM STAT- MEDLINE DCOM- 20210311 LR - 20210311 IS - 2045-2322 (Electronic) IS - 2045-2322 (Linking) VI - 11 IP - 1 DP - 2021 Feb 25 TI - Immunoinformatic based identification of cytotoxic T lymphocyte epitopes from the Indian isolate of SARS-CoV-2. PG - 4516 LID - 10.1038/s41598-021-83949-9 [doi] LID - 4516 AB - The Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has turned into a pandemic with about thirty million confirmed cases worldwide as of September 2020. Being an airborne infection, it can be catastrophic to populous countries like India. This study sets to identify potential cytotoxic T lymphocyte (CTL) epitopes in the SARS-CoV-2 Indian isolate which can act as an effective vaccine epitope candidate for the majority of the Indian population. The immunogenicity and the foreignness of the epitopes towards the human body have to be studied to further confirm their candidacy. The top-scoring epitopes were subjected to molecular docking studies to study their interactions with the corresponding human leukocyte antigen (HLA) system. The CTL epitopes were observed to bind at the peptide-binding groove of the corresponding HLA system, indicating their potency as an epitope candidate. The candidacy was further analyzed using sequence conservation studies and molecular dynamics simulation. The identified epitopes can be subjected to further studies for the development of the SARS-CoV-2 vaccine. FAU - Mulpuru, Viswajit AU - Mulpuru V AD - Department of Applied Science, Indian Institute of Information Technology Allahabad, Prayagraj, 211012, India. FAU - Mishra, Nidhi AU - Mishra N AD - Department of Applied Science, Indian Institute of Information Technology Allahabad, Prayagraj, 211012, India. nidhimishra@iiita.ac.in. LA - eng PT - Journal Article PT - Research Support, Non-U.S. Gov't DEP - 20210225 PL - England TA - Sci Rep JT - Scientific reports JID - 101563288 RN - 0 (COVID-19 Vaccines) RN - 0 (Epitopes, T-Lymphocyte) RN - 0 (HLA Antigens) RN - 0 (Viral Proteins) SB - IM MH - COVID-19/epidemiology/*immunology/prevention & control MH - COVID-19 Vaccines/immunology MH - Epitopes, T-Lymphocyte/*immunology MH - HLA Antigens/*immunology MH - Humans MH - India/epidemiology MH - Molecular Docking Simulation MH - SARS-CoV-2/*immunology MH - Viral Proteins/immunology PMC - PMC7907102 COIS- The authors declare no competing interests. EDAT- 2021/02/27 06:00 MHDA- 2021/03/12 06:00 PMCR- 2021/02/25 CRDT- 2021/02/26 05:57 PHST- 2020/04/03 00:00 [received] PHST- 2021/01/19 00:00 [accepted] PHST- 2021/02/26 05:57 [entrez] PHST- 2021/02/27 06:00 [pubmed] PHST- 2021/03/12 06:00 [medline] PHST- 2021/02/25 00:00 [pmc-release] AID - 10.1038/s41598-021-83949-9 [pii] AID - 83949 [pii] AID - 10.1038/s41598-021-83949-9 [doi] PST - epublish SO - Sci Rep. 2021 Feb 25;11(1):4516. doi: 10.1038/s41598-021-83949-9.