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Identification of a novel dual-target scaffold for 3CLpro and RdRp proteins of SARS-CoV-2 using 3D-similarity search, molecular docking, molecular dynamics and ADMET evaluation

The new SARS-CoV-2 coronavirus is the causative agent of the COVID-19 pandemic outbreak that affected whole the world with more than 6 million confirmed cases and over 370,000 deaths. At present, there are no effective treatments or vaccine for this disease, which constitutes a serious global health...

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Detalhes bibliográficos
Publicado no:J Biomol Struct Dyn
Main Authors: Aouidate, Adnane, Ghaleb, Adib, Chtita, Samir, Aarjane, Mohammed, Ousaa, Abdellah, Maghat, Hamid, Sbai, Abdelouahid, Choukrad, M’barek, Bouachrine, Mohammed, Lakhlifi, Tahar
Formato: Artigo
Idioma:Inglês
Publicado em: Taylor & Francis 2020
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Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7309310/
https://ncbi.nlm.nih.gov/pubmed/32552534
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1080/07391102.2020.1779130
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