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Pentacyclo-icosan‐19′-one compound from Lawsonia inermis as monkeypox virus H1 phosphatase inhibitor: molecular docking, density functional theory, and molecular dynamics simulation studies

Crossref DOI link: https://doi.org/10.1007/s40203-025-00431-4

Published Online: 2025-10-17

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

Authors

Harini, Manoharan https://orcid.org/0009-0001-8459-3274
Rajalakshmi, Arumugam https://orcid.org/0000-0003-2216-3153
Kavitha, Kuppuswamy https://orcid.org/0000-0002-6892-9399
Harikumar, Sampath https://orcid.org/0009-0001-8400-1208
Guruchandran, Veerasamy https://orcid.org/0000-0003-1499-5670
Baskar, Rajamanickam https://orcid.org/0009-0002-0662-4837
Puvanakrishnan, Rengarajulu https://orcid.org/0000-0002-2662-5653
Ramesh, Balasubramanian https://orcid.org/0000-0003-0890-3178
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Text and Data Mining valid from 2025-10-17

Version of Record valid from 2025-10-17
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Article History

Received: 20 January 2025

Accepted: 11 September 2025

First Online: 17 October 2025

Declarations

:

: The authors declare no competing interests.