Publications

FragmentScope — exploring the fragment space with learned surface representations

Single-molecule imaging and molecular dynamics simulations reveal early activation of the MET receptor in cells

An alternative conformation of the N-terminal loop of human dihydroorotate dehydrogenase drives binding to a potent antiproliferative agent

AI is a viable alternative to high throughput screening: a 318-target study

Biochemical characterization of Mycobacterium tuberculosis dihydroorotate dehydrogenase and identification of a selective inhibitor

Curcumin-based-fluorescent probes targeting ALDH1A3 as a promising tool for glioblastoma precision surgery and early diagnosis

The integration of AlphaFold-predicted and crystal structures of human trans-3-hydroxy-l-proline dehydratase reveals a regulatory catalytic mechanism

Targeting Acute Myelogenous Leukemia Using Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on the 2-Hydroxypyrazolo[1,5-a]pyridine Scaffold

A Selective Competitive Inhibitor of Aldehyde Dehydrogenase 1A3 Hinders Cancer Cell Growth, Invasiveness and Stemness In Vitro

Engineering, Characterization, and Biological Evaluation of an Antibody Targeting the HGF Receptor

A highly selective electrochemical assay based on the Sakaguchi reaction for the detection of protein arginine methylation state

Mycobacterium tuberculosis Pathogenesis, Infection Prevention and Treatment

Structure of Thermococcus litoralis Δ1-pyrroline-2-carboxylate reductase in complex with NADH and L-proline

Targeting NAD-dependent dehydrogenases in drug discovery against infectious diseases and cancer

Extracellular NAD+ enhances PARP-dependent DNA repair capacity independently of CD73 activity

Imidazo[1,2-a]pyridine Derivatives as Aldehyde Dehydrogenase Inhibitors: Novel Chemotypes to Target Glioblastoma Stem Cells

Progress in the Field of Aldehyde Dehydrogenase Inhibitors: Novel Imidazo[1,2-a]pyridines against the 1A Family

Structure of Thermococcus litoralis trans-3-hydroxy-L-proline dehydratase in the free and substrate-complexed form

Synthesis and Structure–Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH

The synthesis of kynurenic acid in mammals: An updated kynurenine aminotransferase structural KATalogue

Crystal structure of a thermophilic O6-alkylguanine-DNA alkyltransferase-derived self-labeling protein-tag in covalent complex with a fluorescent probe

Design, synthesis, SAR and biological investigation of 3-(carboxymethyl)rhodanine and aminothiazole inhibitors of Mycobacterium tuberculosis Zmp1

Expanding Benzoxazole-Based Inosine 5′-Monophosphate Dehydrogenase (IMPDH) Inhibitor Structure-Activity As Potential Antituberculosis Agents

Hit discovery of Mycobacterium tuberculosis inosine 5′-monophosphate dehydrogenase, GuaB2, inhibitors

Mycobacterium tuberculosis Molecular Determinants of Infection, Survival Strategies, and Vulnerable Targets

Development of potent inhibitors of the Mycobacterium tuberculosis virulence factor Zmp1 and evaluation of their effect on mycobacterial survival inside macrophages

Biochemical and structural investigations on phosphoribosylpyrophosphate synthetase from Mycobacterium smegmatis

Absolute structure and structure-function relationships of 4R,2′R and 4S,2′S Pidotimod®

Structural investigations on orotate phosphoribosyltransferase from Mycobacterium tuberculosis, a key enzyme of the de novo pyrimidine biosynthesis

Structures of citrate synthase and malate dehydrogenase of Mycobacterium tuberculosis

Crystal structure of the Mycobacterium tuberculosis phosphate binding protein PstS3

Discovery of the first potent and selective Mycobacterium tuberculosis Zmp1 inhibitor

Single-molecule photobleaching reveals increased MET receptor dimerization upon ligand binding in intact cells

Functional characterization of the Mycobacterium tuberculosis zinc metallopeptidase Zmp1 and identification of potential substrates

Crystal structure of Mycobacterium tuberculosis zinc-dependent metalloprotease-1 (Zmp1), a metalloprotease involved in pathogenicity

Ligand-mediated dimerization of the Met receptor tyrosine kinase by the bacterial invasion protein InlB

Structure of the human receptor tyrosine kinase met in complex with the Listeria invasion protein InlB

Zinc-Dependent Metalloprotease-1 (Zmp1)