ORIGINAL ARTICLE
Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods
Under a Creative Commons license
open access
Graphical abstract
Twenty structures including 19 SARS-CoV-2 targets and one human target were built by homology modeling. Library of ZINC drug database, natural products, 78 anti-viral drugs were screened against these targets plus human ACE2. This study provides drug repositioning candidates and targets for further in vitro and in vivo studies of SARS-CoV-2.
Key words
SARS-CoV-2
Drug repurposing
Molecular docking
Remdesivir
Homology modeling
Abbreviations
3CLpro
3-chymotrypsin-like protease
E
envelope
M
membrane protein
N
nucleocapsid protein
Nsp
non-structure protein
ORF
open reading frame
PDB
protein data bank
RdRp
RNA-Dependence RNA polymerase
S
Spike
SUD
SARS unique domain
UB
ubiquitin-like domain
Cited by (0)
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Peer review under responsibility of Chinese Pharmaceutical Association and Institute of Materia Medica, Chinese Academy of Medical Sciences.
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These authors made equal contributions to this work.
© 2020 Chinese Pharmaceutical Association and Institute of Materia Medica, Chinese Academy of Medical Sciences. Production and hosting by Elsevier B.V.