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Computational discovery of dual potential inhibitors of SARS‐CoV‐2 spike/ACE2 and Mpro: 3D-pharmacophore, docking-based virtual screening, quantum mechanics and molecular dynamics

Crossref DOI link: https://doi.org/10.1007/s00249-024-01713-z

Published Online: 2024-06-21

Published Print: 2024-08

Update policy: https://doi.org/10.1007/springer_crossmark_policy

Authors

Bekono, Boris D. https://orcid.org/0000-0003-1077-4176
Onguéné, Pascal Amoa https://orcid.org/0000-0003-2919-6089
Simoben, Conrad V. https://orcid.org/0000-0002-5958-6961
Owono, Luc C. O.

Ntie-Kang, Fidele https://orcid.org/0000-0003-0795-394X
Funding

Funding for this research was provided by:

Bill and Melinda Gates Foundation (INV-036848, INV-055897)

LifeArc (10646)
License Information

Text and Data Mining valid from 2024-06-21

Version of Record valid from 2024-06-21
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Article History

Received: 20 January 2024

Revised: 1 June 2024

Accepted: 2 June 2024

First Online: 21 June 2024

Declarations

:

: The author has no competing interests to declare that are relevant to the content of this article.

: Data is available upon request.

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