Human adenovirus DNA polymerase is evolutionarily and functionally associated with human telomerase reverse transcriptase based on
DNA polymerase
antiretroviral drugs
human adenoviruses (HAdVs)
hypothetical proteins
molecular dynamics and docking
Journal
Frontiers in bioinformatics
ISSN: 2673-7647
Titre abrégé: Front Bioinform
Pays: Switzerland
ID NLM: 9918227263306676
Informations de publication
Date de publication:
2023
2023
Historique:
received:
13
12
2022
accepted:
29
05
2023
medline:
23
6
2023
pubmed:
23
6
2023
entrez:
23
6
2023
Statut:
epublish
Résumé
Human adenoviruses (HAdVs) are non-enveloped, small double stranded DNA (dsDNA) viruses that cause asymptomatic infections, clinical syndromes and significant susceptibility to infections in immunocompromised people. The aim of the present study was to identify critical host proteins and HAdV hypothetical proteins that could be developed as potential host-viral targets for antiHAdV therapy. Here, the function of selected hypothetical proteins of HAdV based on phylogenetic relationship with the therapeutic targets of antiretroviral drugs of human immunodeficiency virus (HIV) was predicted computationally, and characterized the molecular dynamics and binding affinity of DNA polymerase of HAdV. Thirty-eight hypothetical proteins (HPs) of human adenovirus (HAdV) were used in this study. The results showed that HAdV DNA polymerase (P03261) is related to Human TERT (O14746) and HLA-B (P01889) genes. The protein-protein interaction of human five molecular targets (PNP, TERT, CCR5, HLA-B, and NR1I2) of ARVDs are well-coordinated/networked with CD4, AHR, FKBP4, NR3C1, HSP90AA1, and STUB1 proteins in the anti-HIV infection mechanism. The results showed that the free energy score of abacavir and zidovudine binding to HAdV DNA polymerase are -5.8 and -5.4 kcal mol
Identifiants
pubmed: 37351013
doi: 10.3389/fbinf.2023.1123307
pii: 1123307
pmc: PMC10282644
doi:
Types de publication
Journal Article
Langues
eng
Pagination
1123307Informations de copyright
Copyright © 2023 Fatoki.
Déclaration de conflit d'intérêts
The author declares that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest.
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