Herbert Waldmann
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View article: Overcoming Ligand Discovery Challenges: Developing Peptide-Based Tracers for SPSB2
Overcoming Ligand Discovery Challenges: Developing Peptide-Based Tracers for SPSB2 Open
Developing new E3 ligase ligands for the design of heterobivalent molecules, such as PROteolysis TArgeting Chimeras (PROTACs), requires careful evaluation of target engagement (TE). Characterizing protein-protein interactions (PPIs) is the…
View article: Design, Synthesis, and Structural Evolution of Pseudo‐Natural Product IDO1 Inhibitors and Degraders
Design, Synthesis, and Structural Evolution of Pseudo‐Natural Product IDO1 Inhibitors and Degraders Open
Terpenoid alkaloids are derived from the fusion of structurally diverse terpenoid‐ and alkaloid moieties. The biologically relevant chemical space defined by this unique natural product (NP) class may be explored beyond the limitations of …
View article: Pseudo‐Natural Products Inspired by Aspidospermidine‐, Strychnos‐, and Koumine Monoterpene Indole Alkaloids Reveal Pyrimidine Biosynthesis Inhibitors
Pseudo‐Natural Products Inspired by Aspidospermidine‐, Strychnos‐, and Koumine Monoterpene Indole Alkaloids Reveal Pyrimidine Biosynthesis Inhibitors Open
In pseudo‐natural product (PNP) design, natural product fragments are combined in arrangements not found in nature to afford novel biologically relevant NP‐related compound classes. A pseudo‐natural product compound collection inspired by …
View article: Adverse pro-tumorigenic effects of IDO1 catalytic inhibitors mediated by the non-enzymatic function of IDO1 in tumor cells
Adverse pro-tumorigenic effects of IDO1 catalytic inhibitors mediated by the non-enzymatic function of IDO1 in tumor cells Open
Indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors have been developed with the aim of reinvigorating antitumor T-cell responses in the tumor microenvironment by blocking the conversion of the essential amino acid tryptophan into immunoregula…
View article: Overcoming Ligand Discovery Challenges: Developing Peptide-Based Tracers for SPSB2
Overcoming Ligand Discovery Challenges: Developing Peptide-Based Tracers for SPSB2 Open
Developing new E3 ligase ligands for the design of heterobivalent molecules, such as PROteolysis TArgeting Chimeras (PROTACs), requires careful evaluation of target engagement (TE). Characterizing protein-protein interactions (PPIs) is the…
View article: Pseudonatural Products for Chemical Biology and Drug Discovery
Pseudonatural Products for Chemical Biology and Drug Discovery Open
Natural product (NP) structures have provided invaluable inspiration for the discovery of bioactive compound discovery. In the pseudonatural product (PNP) concept unprecedented combinations of NP fragments combine the biological relevance …
View article: Small Molecule‐Induced Alterations of Protein Polyubiquitination Revealed by Mass‐Spectrometric Ubiquitome Analysis
Small Molecule‐Induced Alterations of Protein Polyubiquitination Revealed by Mass‐Spectrometric Ubiquitome Analysis Open
Small molecules that alter protein ubiquitination are emerging as therapeutics due to their ability to modulate targets previously deemed undruggable. These compounds comprise PROTACs, molecular glue degraders, and DUB inhibitors, among ot…
View article: Small Molecule‐Induced Alterations of Protein Polyubiquitination Revealed by Mass‐Spectrometric Ubiquitome Analysis
Small Molecule‐Induced Alterations of Protein Polyubiquitination Revealed by Mass‐Spectrometric Ubiquitome Analysis Open
Small molecules that alter protein ubiquitination are emerging as therapeutics due to their ability to modulate targets previously deemed undruggable. These compounds comprise PROTACs, molecular glue degraders, and DUB inhibitors, among ot…
View article: Covalent Modification of Glutamic Acid Inspired by HaloTag Technology
Covalent Modification of Glutamic Acid Inspired by HaloTag Technology Open
For targeted covalent protein modification at low reactivity aspartates and glutamates, new methods are in high demand. Inspired by the HaloTag technology we have developed a new technique which employs a reaction between chloroalkane-func…
View article: An Indole Dearomatization Strategy for the Synthesis of Pseudo‐Natural Products
An Indole Dearomatization Strategy for the Synthesis of Pseudo‐Natural Products Open
The indole moiety is a privileged fragment that frequently populates existing bioactive compound collections. The development of an indole‐dearomatization sequence and its application for library expansion of a collection of indole‐contain…
View article: Identification of Natural Killer Cell Enhancers Through Mimicking of the Tumor Microenvironment
Identification of Natural Killer Cell Enhancers Through Mimicking of the Tumor Microenvironment Open
The tumor microenvironment (TME) is a pro‐cancerous niche harboring immunosuppressive factors that are secreted by cancer cells and the surrounding cancer‐supportive tissue, such as kynurenine, prostaglandin E2 and transforming growth fact…
View article: Phenomics‐Based Discovery of Novel Orthosteric Choline Kinase Inhibitors
Phenomics‐Based Discovery of Novel Orthosteric Choline Kinase Inhibitors Open
Choline kinase alpha (CHKA) is a central mediator of cell metabolism linked to cancer and immune regulation. Cellular and clinical evaluation of CHKA has been hampered by challenges in the development of drug‐like choline kinase inhibitors…
View article: A compound-target pairs dataset: differences between drugs, clinical candidates and other bioactive compounds
A compound-target pairs dataset: differences between drugs, clinical candidates and other bioactive compounds Open
Providing a better understanding of what makes a compound a successful drug candidate is crucial for reducing the high attrition rates in drug discovery. Analyses of the differences between active compounds, clinical candidates and drugs r…
View article: Detection of a Mitochondrial Fragmentation and Integrated Stress Response Using the Cell Painting Assay
Detection of a Mitochondrial Fragmentation and Integrated Stress Response Using the Cell Painting Assay Open
Mitochondria are cellular powerhouses and are crucial for cell function. However, they are vulnerable to internal and external perturbagens that may impair mitochondrial function and eventually lead to cell death. In particular, small mole…
View article: Identification of a Monovalent Pseudo-Natural Product Degrader Class Supercharging Degradation of IDO1 by its native E3 KLHDC3
Identification of a Monovalent Pseudo-Natural Product Degrader Class Supercharging Degradation of IDO1 by its native E3 KLHDC3 Open
Targeted protein degradation (TPD) modulates protein function beyond inhibition of enzyme activity or protein-protein interactions. Most degrader drugs function by directly mediating proximity between a neosubstrate and hijacked E3 ligase.…
View article: Occurrence of “Natural Selection” in Successful Small Molecule Drug Discovery
Occurrence of “Natural Selection” in Successful Small Molecule Drug Discovery Open
Published compounds from ChEMBL version 32 are used to seek evidence for the occurrence of "natural selection" in drug discovery. Three measures of natural product (NP) character were applied, to compare time- and target-matched compounds …
View article: The Pseudo‐Natural Product Tafbromin Selectively Targets the TAF1 Bromodomain 2
The Pseudo‐Natural Product Tafbromin Selectively Targets the TAF1 Bromodomain 2 Open
Phenotypic assays detect small‐molecule bioactivity at functionally relevant cellular sites, and inherently cover a variety of targets and mechanisms of action. They can uncover new small molecule‐target pairs and may give rise to novel bi…
View article: Illuminating Dark Chemical Matter Using the Cell Painting Assay
Illuminating Dark Chemical Matter Using the Cell Painting Assay Open
Screening for small-molecule modulators of disease-relevant targets and phenotypes is the first step on the way to new drugs. Large compound libraries have been synthesized by academia and, particularly, pharmaceutical companies to meet th…
View article: A chemical inhibitor of IST1-CHMP1B interaction impairs endosomal recycling and induces noncanonical LC3 lipidation
A chemical inhibitor of IST1-CHMP1B interaction impairs endosomal recycling and induces noncanonical LC3 lipidation Open
The endosomal sorting complex required for transport (ESCRT) machinery constitutes multisubunit protein complexes that play an essential role in membrane remodeling and trafficking. ESCRTs regulate a wide array of cellular processes, inclu…
View article: Discovery of a Novel Pseudo‐Natural Product Aurora Kinase Inhibitor Chemotype through Morphological Profiling
Discovery of a Novel Pseudo‐Natural Product Aurora Kinase Inhibitor Chemotype through Morphological Profiling Open
The pseudo‐natural product (pseudo‐NP) concept aims to combine NP fragments in arrangements that are not accessible through known biosynthetic pathways. The resulting compounds retain the biological relevance of NPs but are not yet linked …
View article: Identification of Readily Available Pseudo-Natural Products
Identification of Readily Available Pseudo-Natural Products Open
Pseudo-natural products (PNPs) combine fragments derived from NPs in ways that are not found in nature, and may lead to the discovery of novel chemotypes for unexpected targets or the identification of unprecedented bioactivities. PNPs hav…
View article: Occurrence of ‘Natural Selection’ in Successful Small Molecule Drug Discovery
Occurrence of ‘Natural Selection’ in Successful Small Molecule Drug Discovery Open
A highly curated dataset of published compounds from ChEMBL version 32 is used to seek evidence for the occurrence of ‘natural selection’ in drug discovery. Three complementary measures of natural product (NP) character were applied, to co…
View article: Discovery of the sEH Inhibitor Epoxykynin as a Potent Kynurenine Pathway Modulator
Discovery of the sEH Inhibitor Epoxykynin as a Potent Kynurenine Pathway Modulator Open
Disease-related phenotypic assays enable unbiased discovery of novel bioactive small molecules and may provide novel insights into physiological systems and unprecedented molecular modes of action (MMOA). Herein, we report the identificati…
View article: A compound-target pairs dataset: differences between drugs, clinical candidates and other bioactive compounds
A compound-target pairs dataset: differences between drugs, clinical candidates and other bioactive compounds Open
Providing a better understanding of what makes a compound a successful drug candidate is crucial for reducing the high attrition rates in drug discovery. Analyses of the differences between active compounds, clinical candidates and drugs r…
View article: A dataset of compound-target pairs to analyse differences between drugs, clinical candidates and other bioactive compounds
A dataset of compound-target pairs to analyse differences between drugs, clinical candidates and other bioactive compounds Open
Providing a better understanding of what makes a compound a successful drug candidate is crucial for reducing the high attrition rates in drug discovery. Analyses of the differences between active compounds, clinical candidates and drugs r…
View article: Restriction of Glycolysis Increases Serial Killing Capacity of Natural Killer Cells
Restriction of Glycolysis Increases Serial Killing Capacity of Natural Killer Cells Open
Tumor cells rely heavily on glycolysis to meet their high metabolic demands. While this results in nutrient deprivation within the tumor microenvironment and has negative effects on infiltrating immune cells such as natural killer (NK) cel…