In silico Therapeutic Potential of Phytochemical from Commiphora leptophloeos Mart. - J. B. Gillett Leaves Essential Oil against COVID-19
Michel Souza,
Daniela Droppa-Almeida,
Helena Kodel
et al.
Abstract:The in silico study aimed to suggest phytochemicals from Commiphora leptophloeos leaves essential oil as therapies against coronavirus disease (COVID-19) (or severe acute respiratory syndrome coronavirus 2, SARS-CoV-2). For that, we used molecular docking (MD), absorption, distribution, metabolism, excretion, and toxicity (ADMET) parameters, and pharmacokinetic analysis. MD showed the presence of hydrophobic and hydrogen bonds for nine compounds. β-Selinene and bicyclogermacrene showed the best interaction val… Show more
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