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Targeting SARS-CoV-2 variants with Bromelain: an in-silico study of Spike-ACE2 inhibition using docking, molecular dynamic simulation, and MM-PBSA

Ahuja et al., In Silico Pharmacology, doi:10.1007/s40203-025-00446-x, Oct 2025
https://c19early.org/ahuja.html
In silico study showing bromelain may inhibit SARS-CoV-2 by acting as a competitive inhibitor of Spike-ACE2 interaction. Authors utilized docking, molecular dynamics simulation, and MM/PBSA to test bromelain against the spike protein receptor-binding domain (RBD) of the Wuhan, Delta, Omicron, JN.1.1, and JN.1.4 variants.
Ahuja et al., 17 Oct 2025, peer-reviewed, 3 authors.
In silico studies are an important part of preclinical research, however results may be very different in vivo.
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