In Silico Structure-Based Repositioning of Approved Drugs for Spike Glycoprotein S2 Domain Fusion Peptide of SARS-CoV-2: Rationale from Molecular Dynamics and Binding Free Energy Calculations

The membrane-anchored spike (S) protein of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has a pivotal role in directing the fusion of the virus particle mediated by the host cell receptor angiotensin-converting enzyme 2 (ACE-2). The fusion peptide region of the S protein S2 domain pr...

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Vydáno v:mSystems
Hlavní autoři: Shekhar, Nishant, Sarma, Phulen, Prajapat, Manisha, Avti, Pramod, Kaur, Hardeep, Raja, Anupam, Singh, Harvinder, Bhattacharya, Anusuya, Sharma, Saurabh, Kumar, Subodh, Prakash, Ajay, Medhi, Bikash
Médium: Artigo
Jazyk:Inglês
Vydáno: American Society for Microbiology 2020
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Research Article
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC7511214/
https://ncbi.nlm.nih.gov/pubmed/32963099
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1128/mSystems.00382-20
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