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Article

Bioactive fungal compounds as potential anti-HIV agents against HIV-1 protease: a multi-faceted molecular modelling approach for drug discovery.

Journal of biomolecular structure & dynamics - 1 Feb 2026

Panda Madhusmita, Purohit Priyanka, Barik Debashis, Dansana Jarmani, Meher Biswa Ranjan

Abstract excerpt

HIV-PR is a prominent pharmacological target that is driving the development of various possible HIV inhibitors. Unfortunately, the viral strain population has evolved to be even more resistant to medications; therefore, studying the dynamic structures of both WT and mutant viruses, besides their interactions with inhibitors, may be advantageous. Molecular dynamics analyses and free-energy calculations on the WT...

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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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Identifiers

PMID: 40254936
DOI: 10.1080/07391102.2024.2333986

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 8 Sept 2026.

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