Discovery of TMPRSS2 inhibitors from virtual screening.
COVID-19
SARS-CoV-2
TMPRSS2
pharmacophore model
virtual screening
Journal
bioRxiv : the preprint server for biology
Titre abrégé: bioRxiv
Pays: United States
ID NLM: 101680187
Informations de publication
Date de publication:
17 Mar 2021
17 Mar 2021
Historique:
pubmed:
6
1
2021
medline:
6
1
2021
entrez:
5
1
2021
Statut:
epublish
Résumé
The SARS-CoV-2 pandemic has prompted researchers to pivot their efforts to finding antiviral compounds and vaccines. In this study, we focused on the human host cell transmembrane protease serine 2 (TMPRSS2), which plays an important role in the viral life cycle by cleaving the spike protein to initiate membrane fusion. TMPRSS2 is an attractive target and has received attention for the development of drugs against SARS and MERS. Starting with comparative structural modeling and binding model analysis, we developed an efficient pharmacophore-based approach and applied a large-scale
Identifiants
pubmed: 33398276
doi: 10.1101/2020.12.28.424413
pmc: PMC7781311
pii:
doi:
Types de publication
Preprint
Langues
eng
Commentaires et corrections
Type : UpdateIn
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