Dual targeting of RdRps of SARS-CoV-2 and the mucormycosis-causing fungus: an in silico perspective.
Future Microbiol
; 17: 755-762, 2022 07.
Article
in English
| MEDLINE | ID: covidwho-1879384
ABSTRACT
During the past few months, mucormycosis has been associated with SARS-CoV-2 infections. Molecular docking combined with molecular dynamics simulation is utilized to test nucleotide-based inhibitors against the RdRps of SARS-CoV-2 solved structure and Rhizopusoryzae RdRp model built in silico. The results reveal a comparable binding affinity of sofosbuvir, galidesivir, ribavirin and remdesivir compared with the physiological nucleotide triphosphates against R.oryzae RdRp as well as the SARS-CoV-2 RdRp as reported before. Additionally, other compounds such as setrobuvir, YAK, IDX-184 and modified GTP compounds 2, 3 and 4 show potential calculated average binding affinities against R. oryzae RdRp. The present in silico study suggests the dual inhibition potential of the recommended drugs and compounds against SARS-CoV-2 and R.oryzae RdRps.
Keywords
Full text:
Available
Collection:
International databases
Database:
MEDLINE
Main subject:
COVID-19 Drug Treatment
/
Mucormycosis
Limits:
Humans
Language:
English
Journal:
Future Microbiol
Journal subject:
Microbiology
Year:
2022
Document Type:
Article
Affiliation country:
Fmb-2022-0083
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