Suzanne Z. Ackloo

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.

Macrocyclic Peptide Tools for Huntingtin-bound HAP40

The paper develops macrocyclic peptides that target HAP40, enabling the study of HTT-HAP40 interactions and their role in Huntington's disease.

Enantioselective Protein Affinity Selection Mass Spectrometry (E-ASMS)

This study introduces E-ASMS, a method to detect weak binders and assess enantioselectivity, identifying 16 binders across 12 human protein targets with confirmed binding mechanisms.

Identification and Characterization of a Small Molecule Ligand for the Huntingtin-HAP40 Complex

The paper identifies a small molecule ligand for the HTT-HAP40 complex using AS-MS and validates its binding through multiple techniques, highlighting a druggable interface for HD therapeutics.

High-Affinity, Structure-Validated and Selective Macrocyclic Peptide Tools for Chemical Biology Studies of Huntingtin

This paper identifies and characterizes high-affinity, selective macrocyclic peptide ligands for Huntingtin, enabling structural and functional studies of HTT and its complex with HAP40.

Potent and Selective SETDB1 Covalent Negative Allosteric Modulator Reduces Methyltransferase Activity in Cells

The paper identifies UNC10013, a covalent ligand targeting SETDB1's 3TD domain, which reduces methyltransferase activity and shows selectivity in cells.

CACHE Challenge #1: targeting the WDR domain of LRRK2, a Parkinson's Disease associated protein.

The paper evaluates computational hit-finding methods for targeting the WDR domain of LRRK2, a Parkinson's disease protein, finding that diverse strategies yielded weakly potent compounds.

A resource to enable chemical biology and drug discovery of WDR Proteins

The paper develops a resource for discovering ligands for WDR proteins using experimental and computational methods, leading to the identification of drug-like ligands for 9 out of 20 targets.

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.

SETDB1 Triple Tudor Domain Ligand, (R,R)-59, Promotes Methylation of Akt1 in Cells

The paper shows that (R,R)-59, a SETDB1 ligand, enhances SETDB1-mediated methylation of Akt1 and promotes cell proliferation.

A Chemical Biology Toolbox for the Study of Protein Methyltransferases and Epigenetic Signaling

The paper presents a chemical probe collection for studying protein methyltransferases, showing their utility in modulating epigenetic marks and affecting T cell differentiation.