Title : Therapeutic development by repurposing drugs targeting SARS-CoV-2 spike protein interactions by simulation studies.

Pub. Date : 2021 Aug

PMID : 33935562






3 Functional Relationships(s)
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1 Further, the best binding energy of doxorubicin interacting with virus spike protein (PDB: 6VYB) was observed to be -6.38 kcal/mol and it was followed by exemestane and gatifloxacin. Doxorubicin surface glycoprotein Severe acute respiratory syndrome coronavirus 2
2 The Rg analysis has stated that the Doxorubicin-Spike RBD complex was stable during 15000-35000ps MDS. Doxorubicin surface glycoprotein Severe acute respiratory syndrome coronavirus 2
3 The results have suggested that doxorubicin could inhibit the virus spike protein and prevent the access of the SARS-CoV-2 to the host cell. Doxorubicin surface glycoprotein Severe acute respiratory syndrome coronavirus 2