Virtual screening and molecular dynamics simulation study of approved drugs as a binder to the linoleic acid binding site on spike protein of SARS-CoV-2 and double mutant (E484Q and L452R)

INTRODUCTION: Binding of linoleic acid (LA) to the spike trimer stabilizes it in closed conformation hindering its binding to angiotensin-converting enzyme-2, thus decreasing infectivity. In the current study, we tend to repurpose Food and Drug Administration-approved drugs as binder to the LA bindi...

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Detalles Bibliográficos
Autores principales: Prajapat, Manisha, Sarma, Phulen, Shekhar, Nishant, Chauhan, Arushi, Kaur, Gurjeet, Bhattacharyya, Anusuya, Avti, Pramod, Choudhary, Gajendra, Bansal, Seema, Sharma, Saurabh, Kaur, Hardeep, Kumar, Subodh, Mann, Harvinder, Raja, Anupam, Singh, Ashutosh, Singh, Rahul, Sharma, Amit Raj, Prakash, Ajay, Medhi, Bikash
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Wolters Kluwer - Medknow 2022
Materias:
Original Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10043821/
https://www.ncbi.nlm.nih.gov/pubmed/36722555
http://dx.doi.org/10.4103/ijp.ijp_111_22

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10043821/
https://www.ncbi.nlm.nih.gov/pubmed/36722555
http://dx.doi.org/10.4103/ijp.ijp_111_22

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