P. Loppnau

Structure-based discovery of inhibitors of Mac1 domain of nonstructural protein-3 of SARS-CoV-2 by machine learning-augmented screening of chemical space

The paper uses machine learning-augmented virtual screening to discover a novel series of Mac1 inhibitors for SARS-CoV-2 NSP3, validated by experimental assays and crystallography.

Identification of Direct-acting nsP2 Helicase Inhibitors with Anti-alphaviral Activity

This paper identifies and optimizes oxaspiropiperidine inhibitors targeting nsP2hel, showing nanomolar antiviral activity against multiple alphaviruses.

Identification of Inhibitors of Chikungunya virus nsP2 ATPase

The paper identifies inhibitors of Chikungunya virus nsP2 ATPase by screening compounds that reduce ATP hydrolysis.

A chemical probe to modulate human GID4 Pro/N-degron interactions

The paper introduces PFI-7, a chemical probe that inhibits GID4 Pro/N-degron interactions, revealing non-degradative roles of the CTLH complex in human cells.

Discovery of a first-in-class small molecule ligand for WDR91 using DNA-encoded chemical library selection followed by machine learning

The paper identifies a first-in-class small molecule ligand for WDR91 using DNA-encoded chemical library selection and machine learning, leading to the discovery of covalent analogs and structural insights.