Title : A new insight into the transfer and delivery of anti-SARS-CoV-2 drug Carmofur with the assistance of graphene oxide quantum dot as a highly efficient nanovector toward COVID-19 by molecular dynamics simulation.

Pub. Date : 2022 May 5

PMID : 35558858






4 Functional Relationships(s)
Download
Sentence
Compound Name
Protein Name
Organism
1 Spontaneous attraction of GOQDs loaded with Carmofur toward the binding pocket of the main protease (Mpro) resulted in the penetration of Carmofur into the active catalytic region. carmofur NEWENTRY Severe acute respiratory syndrome-related coronavirus
2 Spontaneous attraction of GOQDs loaded with Carmofur toward the binding pocket of the main protease (Mpro) resulted in the penetration of Carmofur into the active catalytic region. carmofur NEWENTRY Severe acute respiratory syndrome-related coronavirus
3 It was found that the presence of GOQD as an effective carrier in the loading and delivery of Carmofur inhibitor affected the structural conformation of Mpro. carmofur NEWENTRY Severe acute respiratory syndrome-related coronavirus
4 These results suggested that the binding pocket of Mpro is not stable during the interaction with the Carmofur-GOQD complex. carmofur NEWENTRY Severe acute respiratory syndrome-related coronavirus