M. Vedadi

Chemical Tools for the Gid4 Subunit of the Human E3 Ligase C-terminal to LisH (CTLH) Degradation Complex

The paper develops chemical tools and probes for the Gid4 subunit of the human CTLH E3 ligase complex, achieving sub-100 nM binding affinity for further study.

Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase Inhibitors

This paper introduces a computational pipeline for identifying SARS-CoV-2 nsp14 inhibitors using virtual screening, identifying seven candidates including NSC620333 and SS148, with experimental validation of binding affinity and structural insights.

Probing the mechanism of Cbl-b inhibition by a small-molecule inhibitor

The paper investigates how a small-molecule inhibitor binds to and inactivates Cbl-b, revealing a structural mechanism that locks the protein in an inactive conformation.

Structure-based discovery of inhibitors of the SARS-CoV-2 Nsp14 N7-methyltransferase

The paper identifies multiple inhibitors of SARS-CoV-2 Nsp14 N7-methyltransferase using docking strategies, with some showing sub-10 M potency and selectivity.

Discovery of small molecule antagonists of human Retinoblastoma Binding Protein 4 (RBBP4)

This study identifies small molecule antagonists of RBBP4's top pocket, competes with protein and histone interactions, and reports the first crystal structure of RBBP4 with a small molecule.

Pharmacological targeting of a PWWP domain demonstrates cooperative control of NSD2 localization

The paper develops a chemical probe, UNC6934, that targets the PWWP1 domain of NSD2, revealing cooperative control of NSD2 localization through chromatin reader domains.

Probing the SAM Binding Site of SARS-CoV-2 nsp14 in vitro Using SAM Competitive Inhibitors Guides Developing Selective bi-substrate Inhibitors

This paper identifies SAM competitive inhibitors of SARS-CoV-2 nsp14 methyltransferase and characterizes their mechanism, guiding the development of selective bi-substrate inhibitors.

A high-throughput radioactivity-based assay for screening SARS-CoV-2 nsp10-nsp16 complex

The paper develops a radioactivity-based high-throughput screening assay for the SARS-CoV-2 nsp10-nsp16 complex and optimizes it for HTS with a Z'-factor of 0.83.

A First-in-class, Highly Selective and Cell-active AllostericInhibitor of Protein Arginine Methyltransferase 6 (PRMT6)

This paper reports the discovery of a first-in-class, highly selective allosteric inhibitor of PRMT6, SGC6870, with potent activity and selectivity in vitro and in cells.

Discovery of Small-Molecule Antagonists of the PWWP Domain of NSD2

This study identifies small-molecule antagonists of the NSD2 PWWP domain that block its interaction with H3K36me2, providing a tool for further investigation of NSD2's role in disease.

Rational Design and Synthesis of Selective PRMT4 Inhibitors: a New Chemotype for Development of Cancer Therapeutics

This study designs and synthesizes a new class of selective PRMT4 inhibitors with improved selectivity over other PRMT family members.

A high throughput RNA displacement assay for screening SARS-CoV-2 nsp10-nsp16 complex towards developing therapeutics for COVID-19

The paper develops a fluorescence polarization assay for screening RNA-competitive inhibitors of the SARS-CoV-2 nsp10-nsp16 complex, validated with 1124 compounds.

Identification and Characterization of the First Fragment Hits for SETDB1 Tudor Domain

The paper identifies small molecule fragments that bind to the tudor domain of SETDB1 and describes their binding modes and biophysical properties.

A Chemical Probe of CARM1 Alters Epigenetic Plasticity against Breast Cancer Cell Invasion

This study identifies SKI-73 as a CARM1 chemical probe that reduces breast cancer cell invasion by altering epigenetic plasticity, distinct from CARM1 knockout effects.

Pharmacological inhibition of PRMT7 links arginine monomethylation to the cellular stress response

This study identifies a PRMT7 inhibitor and shows its effect on arginine methylation of stress proteins, linking PRMT7 to cellular stress response.