Phytochemicals from Leucas zeylanica Targeting Main Protease of SARS-CoV-2: Chemical Profiles, Molecular Docking, and Molecular Dynamics Simulations

SIMPLE SUMMARY: Molecular docking in conjunction with molecular dynamics simulation was accomplished as they extend an ample opportunity to screen plausible inhibitors of the main protease from Leucas zeylanica. The preferential phytochemicals were identified from L. zeylanica through gas chromatogr...

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Detalles Bibliográficos
Autores principales: Dutta, Mycal, Tareq, Abu Montakim, Rakib, Ahmed, Mahmud, Shafi, Sami, Saad Ahmed, Mallick, Jewel, Islam, Mohammad Nazmul, Majumder, Mohuya, Uddin, Md. Zia, Alsubaie, Abdullah, Almalki, Abdulraheem S. A., Khandaker, Mayeen Uddin, Bradley, D.A., Rana, Md. Sohel, Emran, Talha Bin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8389631/
https://www.ncbi.nlm.nih.gov/pubmed/34440024
http://dx.doi.org/10.3390/biology10080789

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8389631/
https://www.ncbi.nlm.nih.gov/pubmed/34440024
http://dx.doi.org/10.3390/biology10080789

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