List of works - Ewgenij Proschak

2,4-Diaminopyrimidines as histamine H4 receptor ligands--Scaffold optimization and pharmacological characterization

scientific article published on 2 September 2009

A Diverse Benchmark Based on 3D Matched Molecular Pairs for Validating Scoring Functions

scientific article published on 28 May 2018

A coupled fluorescence-based assay for the detection of protein arginine N-methyltransferase 6 (PRMT6) enzymatic activity

scientific article published in February 2018

Allosteric modulation of the farnesoid X receptor by a small molecule

scientific article published in Scientific Reports

Anthranilic acid derivatives as nuclear receptor modulators--development of novel PPAR selective and dual PPAR/FXR ligands.

scientific article

Antidiabetic sulfonylureas modulate farnesoid X receptor activation and target gene transcription

scientific article

Approved Drugs Containing Thiols as Inhibitors of Metallo-β-lactamases: Strategy To Combat Multidrug-Resistant Bacteria

scientific article

Argyreia nervosa (Burm. f.): receptor profiling of lysergic acid amide and other potential psychedelic LSD-like compounds by computational and binding assay approaches

scientific article

Bacterial Expression and HTS Assessment of Soluble Epoxide Hydrolase Phosphatase

scientific article published on 23 March 2016

Bacterial zincophore [S,S]-ethylenediamine-N,N'-disuccinic acid is an effective inhibitor of MBLs

scientific article published on 23 November 2017

Biological impact of freezing Plk1 in its inactive conformation in cancer cells

scientific article

Camptothecin and its analog SN-38, the active metabolite of irinotecan, inhibit binding of the transcriptional regulator and oncoprotein FUBP1 to its DNA target sequence FUSE.

scientific article published on 12 October 2017

Challenges in the Development of a Thiol-Based Broad-Spectrum Inhibitor for Metallo-β-Lactamases

scientific article published on 26 November 2017

Complementary Screening Techniques Yielded Fragments that Inhibit the Phosphatase Activity of Soluble Epoxide Hydrolase

Computational tools for polypharmacology and repurposing

scientific article published on June 1, 2011

Concept of combinatorial de novo design of drug-like molecules by particle swarm optimization

scientific article

Correction to Approved Drugs Containing Thiols as Inhibitors of Metallo-β-lactamases: Strategy To Combat Multidrug-Resistant Bacteria

scientific article

DOGS: reaction-driven de novo design of bioactive compounds

scientific article

Design of dual ligands using excessive pharmacophore query alignment.

scientific article

Design, Synthesis and Cellular Characterization of a Dual Inhibitor of 5-Lipoxygenase and Soluble Epoxide Hydrolase.

scientific article published on 29 December 2016

Design, synthesis and evaluation of 2-aminothiazole derivatives as sphingosine kinase inhibitors.

scientific article published on 6 August 2014

Drug-mediated intracellular donation of nitric oxide potently inhibits 5-lipoxygenase: a possible key to future anti-leukotriene therapy

scientific article

Dual-target virtual screening by pharmacophore elucidation and molecular shape filtering

scientific article

Exploring the chemical space of multitarget ligands using aligned self-organizing maps

scientific article

Fate of primary cells at the G₁/S boundary after polo-like kinase 1 inhibition by SBE13.

scientific article published on 15 February 2011

Form follows function: shape analysis of protein cavities for receptor-based drug design

scientific article published in January 2009

Fragment-based identification of multi-target ligands by self-organizing map alignment.

scientific article

From a multipotent stilbene to soluble epoxide hydrolase inhibitors with antiproliferative properties

scientific article

From machine learning to natural product derivatives that selectively activate transcription factor PPARgamma

scientific article published in February 2010

Homology model adjustment and ligand screening with a pseudoreceptor of the human histamine H4 receptor

scientific article

Identification and validation of a potent type II inhibitor of inactive polo-like kinase 1.

scientific article

Impact of X-Ray Structure on Predictivity of Scoring Functions: PPARγ Case Study

scholarly article by Julia Weber et al published 23 August 2012 in Molecular Informatics

In silico characterization of ligand binding modes in the human histamine H4 receptor and their impact on receptor activation

scientific article published on September 2010

In silico polypharmacology: retrospective recognition vs. rational design

scientific article

Inhibitors of the arachidonic acid cascade: interfering with multiple pathways

scientific article published on 11 October 2013

Investigation of imatinib and other approved drugs as starting points for antidiabetic drug discovery with FXR modulating activity

scientific article

Kernel approach to molecular similarity based on iterative graph similarity

scientific article published on 7 November 2007

Kernel learning for ligand-based virtual screening: discovery of a new PPARγ agonist.

scientific article published on 4 May 2010

Lipoxin and resolvin biosynthesis is dependent on 5-lipoxygenase activating protein

scientific article published on 19 August 2015

Molecular query language (MQL)--a context-free grammar for substructure matching

scientific article

Multipotente Liganden mit kombinierter Cholinesterase- und Monoaminooxidase-Inhibition sowie Histamin-H3 R-Antagonismus bei neurodegenerativen Erkrankungen

Multistep virtual screening for rapid and efficient identification of non-nucleoside bacterial thymidine kinase inhibitors

scientific article published on August 2010

N-Benzylbenzamides: A Novel Merged Scaffold for Orally Available Dual Soluble Epoxide Hydrolase/Peroxisome Proliferator-Activated Receptor γ Modulators

scientific article published on 23 November 2015

Nonacidic inhibitors of human microsomal prostaglandin synthase 1 (mPGES 1) identified by a multistep virtual screening protocol

scientific article

Orally Available Soluble Epoxide Hydrolase/Phosphodiesterase 4 Dual Inhibitor Treats Inflammatory Pain

scientific article published on 3 April 2018

PADI4 acts as a coactivator of Tal1 by counteracting repressive histone arginine methylation

scientific article

PENG: a neural gas-based approach for pharmacophore elucidation. method design, validation, and virtual screening for novel ligands of LTA4H

scientific article

PhAST: pharmacophore alignment search tool

scientific article

Phosphatase activity of soluble epoxide hydrolase

scientific article

PocketPicker: analysis of ligand binding-sites with shape descriptors.

scientific article

Potent inhibitors of 5-lipoxygenase identified using pseudoreceptors

scientific article published on 19 April 2011

Probing metallo-β-lactamases with molecular fragments identified by consensus docking

scientific article published on 28 September 2015

Protein-protein docking by shape-complementarity and property matching

scientific article published in July 2010

Pyrazolo[1,5a]pyrimidines as a new class of FUSE binding protein 1 (FUBP1) inhibitors

scientific article published on 14 September 2016

Rational design of a pirinixic acid derivative that acts as subtype-selective PPARgamma modulator

scientific article published on 4 March 2010

Reaction-MQL: line notation for functional transformation

scientific article

Reconsidering the drug discovery pipeline for designed multitarget drugs

scientific article

SBE13, a newly identified inhibitor of inactive polo-like kinase 1.

scientific article

SOMMER: self-organising maps for education and research

scientific article published on 22 September 2006

Scaffold hopping by "fuzzy" pharmacophores and its application to RNA targets

scientific article published in November 2007

Shapelets: Possibilities and limitations of shape-based virtual screening

Structure-Based Pharmacophores for Virtual Screening

scientific article

Structure-activity relationship and in vitro pharmacological evaluation of imidazo[1,2-a]pyridine-based inhibitors of 5-LO.

scientific article published on May 2013

Structure-activity relationship of nonacidic quinazolinone inhibitors of human microsomal prostaglandin synthase 1 (mPGES 1).

scientific article

Synthesis and pharmacological characterization of benzenesulfonamides as dual species inhibitors of human and murine mPGES-1.

scientific article

Synthesis and structure-activity relationship studies of novel dual inhibitors of soluble epoxide hydrolase and 5-lipoxygenase

scientific article

Synthetic cannabinoids: In silico prediction of the cannabinoid receptor 1 affinity by a quantitative structure-activity relationship model

scientific article published on 12 January 2016

The holistic integration of virtual screening in drug discovery ⬇️

scientific article published on January 20, 2013

Thermodynamic properties of leukotriene A4 hydrolase inhibitors

scientific article

Truxillic acid derivatives act as peroxisome proliferator-activated receptor gamma activators

scientific article published on 7 March 2010

VAMMPIRE-LORD: a web server for straightforward lead optimization using matched molecular pairs

scientific article published on 10 February 2015

VAMMPIRE: a matched molecular pairs database for structure-based drug design and optimization

scientific article published on 18 June 2013

Vanillin-derived antiproliferative compounds influence Plk1 activity

scientific article published on 16 September 2014

Voyages to the (un)known: adaptive design of bioactive compounds

scientific article

List of works by Ewgenij Proschak

2,4-Diaminopyrimidines as histamine H4 receptor ligands--Scaffold optimization and pharmacological characterization

A Diverse Benchmark Based on 3D Matched Molecular Pairs for Validating Scoring Functions

A coupled fluorescence-based assay for the detection of protein arginine N-methyltransferase 6 (PRMT6) enzymatic activity

Allosteric modulation of the farnesoid X receptor by a small molecule

Anthranilic acid derivatives as nuclear receptor modulators--development of novel PPAR selective and dual PPAR/FXR ligands.

Antidiabetic sulfonylureas modulate farnesoid X receptor activation and target gene transcription

Approved Drugs Containing Thiols as Inhibitors of Metallo-β-lactamases: Strategy To Combat Multidrug-Resistant Bacteria

Argyreia nervosa (Burm. f.): receptor profiling of lysergic acid amide and other potential psychedelic LSD-like compounds by computational and binding assay approaches

Bacterial Expression and HTS Assessment of Soluble Epoxide Hydrolase Phosphatase

Bacterial zincophore [S,S]-ethylenediamine-N,N'-disuccinic acid is an effective inhibitor of MBLs

Biological impact of freezing Plk1 in its inactive conformation in cancer cells

Camptothecin and its analog SN-38, the active metabolite of irinotecan, inhibit binding of the transcriptional regulator and oncoprotein FUBP1 to its DNA target sequence FUSE.

Challenges in the Development of a Thiol-Based Broad-Spectrum Inhibitor for Metallo-β-Lactamases

Complementary Screening Techniques Yielded Fragments that Inhibit the Phosphatase Activity of Soluble Epoxide Hydrolase

Computational tools for polypharmacology and repurposing

Concept of combinatorial de novo design of drug-like molecules by particle swarm optimization

Correction to Approved Drugs Containing Thiols as Inhibitors of Metallo-β-lactamases: Strategy To Combat Multidrug-Resistant Bacteria

DOGS: reaction-driven de novo design of bioactive compounds

Design of dual ligands using excessive pharmacophore query alignment.

Design, Synthesis and Cellular Characterization of a Dual Inhibitor of 5-Lipoxygenase and Soluble Epoxide Hydrolase.

Design, synthesis and evaluation of 2-aminothiazole derivatives as sphingosine kinase inhibitors.

Drug-mediated intracellular donation of nitric oxide potently inhibits 5-lipoxygenase: a possible key to future anti-leukotriene therapy

Dual-target virtual screening by pharmacophore elucidation and molecular shape filtering

Exploring the chemical space of multitarget ligands using aligned self-organizing maps

Fate of primary cells at the G₁/S boundary after polo-like kinase 1 inhibition by SBE13.

Form follows function: shape analysis of protein cavities for receptor-based drug design

Fragment-based identification of multi-target ligands by self-organizing map alignment.

From a multipotent stilbene to soluble epoxide hydrolase inhibitors with antiproliferative properties

From machine learning to natural product derivatives that selectively activate transcription factor PPARgamma

Homology model adjustment and ligand screening with a pseudoreceptor of the human histamine H4 receptor

Identification and validation of a potent type II inhibitor of inactive polo-like kinase 1.

Impact of X-Ray Structure on Predictivity of Scoring Functions: PPARγ Case Study

In silico characterization of ligand binding modes in the human histamine H4 receptor and their impact on receptor activation

In silico polypharmacology: retrospective recognition vs. rational design

Inhibitors of the arachidonic acid cascade: interfering with multiple pathways

Investigation of imatinib and other approved drugs as starting points for antidiabetic drug discovery with FXR modulating activity

Kernel approach to molecular similarity based on iterative graph similarity

Kernel learning for ligand-based virtual screening: discovery of a new PPARγ agonist.

Lipoxin and resolvin biosynthesis is dependent on 5-lipoxygenase activating protein

Molecular query language (MQL)--a context-free grammar for substructure matching

Multipotente Liganden mit kombinierter Cholinesterase- und Monoaminooxidase-Inhibition sowie Histamin-H3 R-Antagonismus bei neurodegenerativen Erkrankungen

Multistep virtual screening for rapid and efficient identification of non-nucleoside bacterial thymidine kinase inhibitors

N-Benzylbenzamides: A Novel Merged Scaffold for Orally Available Dual Soluble Epoxide Hydrolase/Peroxisome Proliferator-Activated Receptor γ Modulators

Nonacidic inhibitors of human microsomal prostaglandin synthase 1 (mPGES 1) identified by a multistep virtual screening protocol

Orally Available Soluble Epoxide Hydrolase/Phosphodiesterase 4 Dual Inhibitor Treats Inflammatory Pain

PADI4 acts as a coactivator of Tal1 by counteracting repressive histone arginine methylation

PENG: a neural gas-based approach for pharmacophore elucidation. method design, validation, and virtual screening for novel ligands of LTA4H

PhAST: pharmacophore alignment search tool

Phosphatase activity of soluble epoxide hydrolase

PocketPicker: analysis of ligand binding-sites with shape descriptors.

Potent inhibitors of 5-lipoxygenase identified using pseudoreceptors

Probing metallo-β-lactamases with molecular fragments identified by consensus docking

Protein-protein docking by shape-complementarity and property matching

Pyrazolo[1,5a]pyrimidines as a new class of FUSE binding protein 1 (FUBP1) inhibitors

Rational design of a pirinixic acid derivative that acts as subtype-selective PPARgamma modulator

Reaction-MQL: line notation for functional transformation

Reconsidering the drug discovery pipeline for designed multitarget drugs

SBE13, a newly identified inhibitor of inactive polo-like kinase 1.

SOMMER: self-organising maps for education and research

Scaffold hopping by "fuzzy" pharmacophores and its application to RNA targets

Shapelets: Possibilities and limitations of shape-based virtual screening

Structure-Based Pharmacophores for Virtual Screening

Structure-activity relationship and in vitro pharmacological evaluation of imidazo[1,2-a]pyridine-based inhibitors of 5-LO.

Structure-activity relationship of nonacidic quinazolinone inhibitors of human microsomal prostaglandin synthase 1 (mPGES 1).

Synthesis and pharmacological characterization of benzenesulfonamides as dual species inhibitors of human and murine mPGES-1.

Synthesis and structure-activity relationship studies of novel dual inhibitors of soluble epoxide hydrolase and 5-lipoxygenase

Synthetic cannabinoids: In silico prediction of the cannabinoid receptor 1 affinity by a quantitative structure-activity relationship model

The holistic integration of virtual screening in drug discovery ⬇️

Thermodynamic properties of leukotriene A4 hydrolase inhibitors

Truxillic acid derivatives act as peroxisome proliferator-activated receptor gamma activators

VAMMPIRE-LORD: a web server for straightforward lead optimization using matched molecular pairs

VAMMPIRE: a matched molecular pairs database for structure-based drug design and optimization

Vanillin-derived antiproliferative compounds influence Plk1 activity

Voyages to the (un)known: adaptive design of bioactive compounds

Zafirlukast Is a Dual Modulator of Human Soluble Epoxide Hydrolase and Peroxisome Proliferator-Activated Receptor γ