List of works - Willem Nissink

A Generic Platform for Cellular Screening Against Ubiquitin Ligases

scientific article published on 8 January 2016

A new test set for validating predictions of protein-ligand interaction.

scientific article

Analyzing compound and project progress through multi-objective-based compound quality assessment.

scientific article

Beyond the scope of free-Wilson analysis. 2: Can distance encoded R-group fingerprints provide interpretable nonlinear models?

scientific article published on 11 April 2014

Cellularly active N-hydroxyurea FEN1 inhibitors block substrate entry to the active site ⬇️

scientific article

Combined use of physicochemical data and small-molecule crystallographic contact propensities to predict interactions in protein binding sites.

scientific article

Comparing protein-ligand docking programs is difficult.

scientific article

Development of a High-Throughput Fluorescence Polarization DNA Cleavage Assay for the Identification of FEN1 Inhibitors ⬇️

scientific article published on February 20, 2013

Discovery and characterization of AZD6738, a potent inhibitor of ataxia telangiectasia mutated and rad3 related (ATR) kinase with application as an anti-cancer agent

article

Discovery of 4-{4-[(3R)-3-Methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole (AZ20): a potent and selective inhibitor of ATR protein kinase with monotherapy in vivo antitumor activity

scientific article published on March 2013

Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models

scientific article published on 16 July 2019

Discovery of novel imidazo[1,2-a]pyridines as inhibitors of the insulin-like growth factor-1 receptor tyrosine kinase.

scientific article

Drugging ATR: progress in the development of specific inhibitors for the treatment of cancer.

scientific article published on June 2015

Generation of Quantum Configurational Ensembles Using Approximate Potentials

scientific article published on 14 October 2021

Increasing the delivery of next generation therapeutics from high throughput screening libraries

scientific article published on 20 April 2015

MTH1 Substrate Recognition--An Example of Specific Promiscuity

scientific article

Mimicry by asx- and ST-turns of the four main types of beta-turn in proteins.

scientific article

Modeling water molecules in protein-ligand docking using GOLD.

scientific article

Myc Phosphorylation in its Basic Helix-Loop-Helix Region Destabilizes Transient α-Helical Structures, Disrupting Max and DNA Binding.

scientific article published on 25 April 2018

Nuisance compounds in cellular assays

scientific article published in 2021

PAINS in the assay: chemical mechanisms of assay interference and promiscuous enzymatic inhibition observed during a sulfhydryl-scavenging HTS.

scientific article

Post-HTS case report and structural alert: Promiscuous 4-aroyl-1,5-disubstituted-3-hydroxy-2H-pyrrol-2-one actives verified by ALARM NMR.

scientific article published on 10 August 2015

Potent and Selective Inhibitors of MTH1 Probe Its Role in Cancer Cell Survival

scientific article

Promiscuous 2-aminothiazoles (PrATs): a frequent hitting scaffold.

scientific article published on 16 January 2015

Quantification of frequent-hitter behavior based on historical high-throughput screening data

scientific article

Recurring main-chain anion-binding motifs in short polypeptides: nests.

scientific article

Seven Year Itch: Pan-Assay Interference Compounds (PAINS) in 2017-Utility and Limitations.

scientific article published on 4 December 2017

Stratified high-throughput screening sets enable flexible screening strategies from a single plated collection.

scientific article

Structures of the Human Poly (ADP-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by ADP-HPD Derivatives ⬇️

scientific article published on December 10, 2012

List of works by Willem Nissink

A Generic Platform for Cellular Screening Against Ubiquitin Ligases

A new test set for validating predictions of protein-ligand interaction.

Analyzing compound and project progress through multi-objective-based compound quality assessment.

Beyond the scope of free-Wilson analysis. 2: Can distance encoded R-group fingerprints provide interpretable nonlinear models?

Cellularly active N-hydroxyurea FEN1 inhibitors block substrate entry to the active site ⬇️

Combined use of physicochemical data and small-molecule crystallographic contact propensities to predict interactions in protein binding sites.

Comparing protein-ligand docking programs is difficult.

Development of a High-Throughput Fluorescence Polarization DNA Cleavage Assay for the Identification of FEN1 Inhibitors ⬇️

Discovery and characterization of AZD6738, a potent inhibitor of ataxia telangiectasia mutated and rad3 related (ATR) kinase with application as an anti-cancer agent

Discovery of 4-{4-[(3R)-3-Methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole (AZ20): a potent and selective inhibitor of ATR protein kinase with monotherapy in vivo antitumor activity

Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models

Discovery of novel imidazo[1,2-a]pyridines as inhibitors of the insulin-like growth factor-1 receptor tyrosine kinase.

Drugging ATR: progress in the development of specific inhibitors for the treatment of cancer.

Generation of Quantum Configurational Ensembles Using Approximate Potentials

Increasing the delivery of next generation therapeutics from high throughput screening libraries

MTH1 Substrate Recognition--An Example of Specific Promiscuity

Mimicry by asx- and ST-turns of the four main types of beta-turn in proteins.

Modeling water molecules in protein-ligand docking using GOLD.

Myc Phosphorylation in its Basic Helix-Loop-Helix Region Destabilizes Transient α-Helical Structures, Disrupting Max and DNA Binding.

Nuisance compounds in cellular assays

PAINS in the assay: chemical mechanisms of assay interference and promiscuous enzymatic inhibition observed during a sulfhydryl-scavenging HTS.

Post-HTS case report and structural alert: Promiscuous 4-aroyl-1,5-disubstituted-3-hydroxy-2H-pyrrol-2-one actives verified by ALARM NMR.

Potent and Selective Inhibitors of MTH1 Probe Its Role in Cancer Cell Survival

Promiscuous 2-aminothiazoles (PrATs): a frequent hitting scaffold.

Quantification of frequent-hitter behavior based on historical high-throughput screening data

Recurring main-chain anion-binding motifs in short polypeptides: nests.

Seven Year Itch: Pan-Assay Interference Compounds (PAINS) in 2017-Utility and Limitations.

Stratified high-throughput screening sets enable flexible screening strategies from a single plated collection.

Structures of the Human Poly (ADP-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by ADP-HPD Derivatives ⬇️