Deciphering the Role of Bromo and Extra-Terminal (Bet) Family Protein in SARS-CoV-2 Infection

Kiran, Putchala Ravi (2021) Deciphering the Role of Bromo and Extra-Terminal (Bet) Family Protein in SARS-CoV-2 Infection. Masters thesis, Indian Institute of Science Education and Research Kolkata.

Text (MS Dissertation of Putchala Ravi Kiran (16MS168)) 16MS168_Thesis_file.pdf - Submitted Version Restricted to Repository staff only Download (8MB)

Abstract

SARS-CoV-2, the viral pathogen responsible for the COVID-19 pandemic, has a high human-to-human transmission rate. SARS-CoV-2 has caused the highest number of deaths by a viral pathogen in the 21st century. In order to treat the patients with severe and very severe infections, an in-depth study took place on the viral proteome and the viral-host protein interactome for developing the drugs and vaccines. Viral endonucleases help in the incorporation of the host genes fragments into the viral genome over their evolutionary period to express proteins that mimic host proteins. Envelope protein is predicted to be one such protein where a part of its C-terminal mimics the N-terminal part of the Histone H3 (H3K4ac). This mimicking helps the Envelope protein to interact with some epigenetic readers. Our work focuses on identifying the proteins that belong to Bromodomain and extraterminal (BET) family, which are interacting with SARS-CoV-2 envelope protein using in-silico tools. From the molecular dynamic simulations studies the structural basis of the high confidence protein-protein interactions between the envelope protein and the members of the BET family{BRD4(BD1), BRD2(BD1, BD2), and BRD3(BD1, BD2)} and their stability were observed. The average binding energy of the interacting complexes was calculated by molecular mechanics Poisson-Boltzmann surface area function to predict the strength of envelope protein-Bromodomian (BET family) interactions. 7

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