Title : In silico study of some selective phytochemicals against a hypothetical SARS-CoV-2 spike RBD using molecular docking tools.

Pub. Date : 2021 Oct

PMID : 34481181






4 Functional Relationships(s)
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1 MATERIALS AND METHODS: A hypothetical mutated spike protein was constructed by incorporating twelve different mutations from twelve geographical locations simultaneously into the receptor-binding domain (RBD) and docked with ACE2 and seven phytochemicals namely allicin, capsaicin, cinnamaldehyde, curcumin, gingerol, piperine and zingeberene. Curcumin surface glycoprotein Severe acute respiratory syndrome coronavirus 2
2 RESULT: The docking results showed that curcumin and piperine were most potent to bind ACE2, mutated spike, and mutated spike-ACE2 complex, thereby restricting viral entry. Curcumin surface glycoprotein Severe acute respiratory syndrome coronavirus 2
3 RESULT: The docking results showed that curcumin and piperine were most potent to bind ACE2, mutated spike, and mutated spike-ACE2 complex, thereby restricting viral entry. Curcumin surface glycoprotein Severe acute respiratory syndrome coronavirus 2
4 CONCLUSION: This result provides a significant insight about the phytochemicals" role, namely curcumin and piperine, as the potential therapeutic entities against mutated spike protein of SARS-CoV-2. Curcumin surface glycoprotein Severe acute respiratory syndrome coronavirus 2