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Author

Malla Reddy Gannarapu

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Aug 2026

Discovery of SARS-CoV-2 PLpro covalent inhibitors enabled by a novel reversible covalent chloroalkyne warhead.

These findings establish chloroalkyne as a promising target-directed reversible covalent warhead for PLpro inhibition and provide in vivo proof-of-concept for this chemistry in antiviral drug discovery, with potential for broader application to other cysteine proteases.

Divakar Indukuri, J. G. Achi, Boopathi Sownthirarajan et al. · 0 citations
Open access Aug 2026

A Medicinal Chemistry-Centered Evaluation of AlphaFold 3 and Boltz-2 Across Diverse Binding Modalities

AlphaFold 3 (AF3) and Boltz-2 are state-of-the-art AI-based tools for biomolecular structure prediction, but whether their predictions provide useful guidance for lead optimization, SAR interpretation, and virtual screening remains insufficiently characterized. We benchmarked their performance using newly determined so...

Ke Chen, Zuo-Huang Qi, Omar Lozano Ramos et al. · 0 citations

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