In silico investigation of phytoconstituents from Cameroonian medicinal plants towards COVID-19 treatment.
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ABSTRACT: Supplementary information
The online version contains supplementary material available at 10.1007/s11224-022-01939-7.
SUBMITTER: Chtita S
PROVIDER: S-EPMC9051495 | biostudies-literature | 2022
REPOSITORIES: biostudies-literature
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In silico investigation of phytoconstituents from Cameroonian medicinal plants towards COVID-19 treatment.
Chtita Samir S Fouedjou Romuald Tematio RT Belaidi Salah S Djoumbissie Loris Alvine LA Ouassaf Mebarka M Qais Faizan Abul FA Bakhouch Mohamed M Efendi Mohammed M Tok Tugba Taskin TT Bouachrine Mohammed M Lakhlifi Tahar T
Structural chemistry 20220429 5
In silico studies performed on the metabolites of four Cameroonian medicinal plants with a view to propose potential molecules to fight against COVID-19 were carried out. At first, molecular docking was performed for a set of 84 selected phytochemicals with SARS-CoV-2 main protease (PDB ID: 6lu7) protein. It was further followed by assessing the pharmacokinetics and pharmacological abilities of 15 compounds, which showed low binding energy values. As the screening criteria for their ADMET proper ...[more]
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