Exploring the potential of novel phenolic compounds as potential therapeutic candidates against SARS-CoV-2, using quantum chemistry, molecular docking and dynamic studies

In the current study, the interaction of SARS-CoV-2 protein (A and B chains of nsp13) with different recently synthesized phenolic compounds (Sreenivasulu et al., Synthetic Communications, 2020, 112–122) has been studied. The interactions have been investigated by using molecular docking, quantum ch...

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Detalles Bibliográficos
Autores principales: Zia, Maimoona, Muhammad, Shabbir, Shafiq-urRehman, Bibi, Shamsa, Abbasi, Sumra Wajid, Al-Sehemi, Abdullah G., Chaudhary, Aijaz Rasool, Bai, Fu Quan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier Ltd. 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8087859/
https://www.ncbi.nlm.nih.gov/pubmed/33940136
http://dx.doi.org/10.1016/j.bmcl.2021.128079

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8087859/
https://www.ncbi.nlm.nih.gov/pubmed/33940136
http://dx.doi.org/10.1016/j.bmcl.2021.128079

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