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Sep 2026

Identification of potential SARS-CoV-2 Mpro inhibitors from a Thai natural product database via interaction fingerprint-based virtual screening

It is revealed that the S2 binding site serves as a key region to anchor most non-covalent inhibitors of SARS-CoV-2 Mpro, which is a promising target for coronavirus disease 2019 (COVID-19) therapy.

Aunlika Chimprasit, G. Bret, S. Hannongbua et al. · 0 citations
Sep 2026

Performances and Critical Limitations of Docking and Protein–Ligand Interactions for Efficacy-Driven Virtual Screening Targeting Class A GPCRs

A comprehensive assessment based on systematic benchmarking using a diverse set of class A G-protein-coupled receptors and different approaches to represent protein–ligand demonstrates that the combined approach overall improves the efficacy bias of selected ligands as compared to docking alone.

Luca Chiesa, G. Bret, Severine Schneider et al. · 0 citations

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