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List of works by Wolfgang Sippl

2-Benzazolyl-4-Piperazin-1-Ylsulfonylbenzenecarbohydroxamic Acids as Novel Selective Histone Deacetylase-6 Inhibitors with Antiproliferative Activity

scientific article

3D-QSAR CoMFA/CoMSIA models based on theoretical active conformers of HOE/BAY-793 analogs derived from HIV-1 protease inhibitor complexes.

scientific article published on 23 May 2009

3D-QSAR Using the GRID/GOLPE Approach

A Novel Class of Schistosoma mansoni Histone Deacetylase 8 (HDAC8) Inhibitors Identified by Structure-Based Virtual Screening and In Vitro Testing.

scientific article published on 2 March 2018

A fluorescence anisotropy-based Myt1 kinase binding assay

scientific article published on 14 November 2013

A new nonpeptide substrate of human sirtuin in a capillary electrophoresis-based assay. Investigation of the binding mode by docking experiments

scientific article published on 01 June 2012

A novel arginine methyltransferase inhibitor with cellular activity

scientific article

Activation, regulation, and inhibition of DYRK1A.

scientific article published on 03 December 2010

Acyl derivatives of p-aminosulfonamides and dapsone as new inhibitors of the arginine methyltransferase hPRMT1.

scientific article published on 27 February 2011

Adenosine mimetics as inhibitors of NAD+-dependent histone deacetylases, from kinase to sirtuin inhibition

scientific article published on December 2006

Alkaloids with Anti-Onchocercal Activity from Voacanga africana Stapf (Apocynaceae): Identification and Molecular Modeling ⬇️

scientific article published on 25 December 2020

Amino acids important for ligand specificity of the human constitutive androstane receptor

scientific article

Aminothiazoles as Potent and Selective Sirt2 Inhibitors: A Structure-Activity Relationship Study

scientific article

Analysis of the Resistance of Hepatitis C Virus NS5B Polymerase Inhibitors via Docking and Molecular Dynamics Simulation

scientific article

Application of Structure-Based Alignment Methods for 3D QSAR Analyses

Application of biasing-potential replica exchange simulations for loop modeling and refinement of proteins in explicit solvent

article

Application of docking and QM/MM-GBSA rescoring to screen for novel Myt1 kinase inhibitors

scientific article

Ask the experts: focus on computational chemistry

scientific article published in June 2011

Augmented reversible photoswitching of drug-target interaction through "surface borrowing".

scientific article

Benzo[7]annulene-based GluN2B selective NMDA receptor antagonists: Surprising effect of a nitro group in 2-position

scientific article

Binding affinity prediction of novel estrogen receptor ligands using receptor-based 3-D QSAR methods

scientific article published on 01 December 2002

Binding free energy calculations and biological testing of novel thiobarbiturates as inhibitors of the human NAD+dependent histone deacetylase Sirt2

Binding of pyrazole-based inhibitors to Mycobacterium tuberculosis pantothenate synthetase: docking and MM-GB(PB)SA analysis

scientific article published on 01 February 2014

Bioactive natural products derived from the Central African flora against neglected tropical diseases and HIV.

scientific article published on 02 July 2013

CamMedNP: building the Cameroonian 3D structural natural products database for virtual screening

scientific article

Cameroonian medicinal plants: a bioactivity versus ethnobotanical survey and chemotaxonomic classification

scientific article

Cancer treatment of the future: inhibitors of histone methyltransferases

scientific article

Carbamate prodrug concept for hydroxamate HDAC inhibitors

scientific article

Carbamates as Potential Prodrugs and a New Warhead for HDAC Inhibition

scientific article

Characterization of histone deacetylase 8 (HDAC8) selective inhibition reveals specific active site structural and functional determinants

article

Chemical probing of the human sirtuin 5 active site reveals its substrate acyl specificity and peptide-based inhibitors

scientific article

Chromo-pharmacophores: photochromic diarylmaleimide inhibitors for sirtuins

Comparison of homology models and X-ray structures of the nuclear receptor CAR: assessing the structural basis of constitutive activity

scientific article

Compounds from African Medicinal Plants with Activities Against Selected Parasitic Diseases: Schistosomiasis, Trypanosomiasis and Leishmaniasis.

scientific article published on 9 May 2018

Compounds from African Medicinal Plants with Activities against Protozoal Diseases: Schistosomiasis, Trypanosomiasis and Leishmaniasis

article

Computational Approaches for the Prediction of Blood-Brain Barrier Permeation

Computer- and Structure-Based Lead Identification for Epigenetic Targets

Computer- and structure-based lead design for epigenetic targets

scientific article

Computer-Assisted Analysis of Histamine H2â and H3-Receptor Agonists

scholarly article by Wolfgang Sippl et al published 1995 in QSAR and Combinatorial Science

ConMedNP: a natural product library from Central African medicinal plants for drug discovery

article

Continuous Activity Assay for HDAC11 Enabling Reevaluation of HDAC Inhibitors

scientific article published on 15 November 2019

Current trends in epigenetic drug discovery

scientific article published on October 2012

DNA Methyltransferase Inhibitors

article from 2010

Degradation of tropoelastin and skin elastin by neprilysin.

scientific article published on 28 November 2017

Degradation of tropoelastin by matrix metalloproteinases--cleavage site specificities and release of matrikines

scientific article

Derivatives of arylhydrazonic acids. Part 3: Stereochemical rearrangement of Z-oxanilo-N1-dialkyl-N2-arylamidrazones

Design, synthesis, and structure-activity relationships of a series of 3-[2-(1-benzylpiperidin-4-yl)ethylamino]pyridazine derivatives as acetylcholinesterase inhibitors

scientific article published in August 2001

Development of biologically active compounds by combining 3D QSAR and structure-based design methods

scientific article

Development of histone deacetylase inhibitors Potent active ingredients especially in cancer

scientific article

Different antagonist binding properties of human and rat histamine H3 receptors

scientific article published in April 2001

Discovery and selectivity-profiling of 4-benzylamino 1-aza-9-oxafluorene derivatives as lead structures for IGF-1R inhibitors

scientific article published on 27 October 2010

Discovery of 4-Benzylamino-Substituted α-Carbolines as a Novel Class of Receptor Tyrosine Kinase Inhibitors

article

Discovery of 4-anilino α-carbolines as novel Brk inhibitors

scientific article published on 12 March 2014

Discovery of dually acting small-molecule inhibitors of cancer-resistance relevant receptor tyrosine kinases EGFR and IGF-1R

Discovery of inhibitors of Schistosoma mansoni HDAC8 by combining homology modeling, virtual screening, and in vitro validation

scientific article

Discovery of novel dual inhibitors of receptor tyrosine kinases EGFR and IGF-1R.

scientific article published in December 2017

Discovery of novel substituted benzo-anellated 4-benzylamino pyrrolopyrimidines as dual EGFR and VEGFR2 inhibitors

scientific article published on 19 April 2017

Discovery of specific inhibitors of human USP7/HAUSP deubiquitinating enzyme

scientific article

Discovery of substituted sulfonamides and thiazolidin-4-one derivatives as agonists of human constitutive androstane receptor

scientific article

Docking and binding free energy calculations of sirtuin inhibitors

scientific article

Docking and virtual screening of novel inhibitors for mono-ADP-ribosylating toxins.

scientific article

Drug Development of Small-Molecule Inhibitors of AD-Relevant Kinases as Novel Perspective Multitargeted Approach

scientific article published on 14 June 2016

Drugging the schistosome zinc-dependent HDACs: current progress and future perspectives

scientific article published on January 2015

Editorial to Special Issue-"Structure-Activity Relationships (SAR) of Natural Products"

scientific article published on 06 January 2021

Editorial: Pharmazie in unserer Zeit 3/2010

scientific article published on 01 May 2010

Einfach und frei: Protein-Ligand-Docking

Elastin is heterogeneously cross-linked

scientific article published on 14 August 2018

Enantiomerically Pure 2-Methyltetrahydro-3-benzazepin-1-ols Selectively Blocking GluN2B Subunit Containing N-Methyl-D-aspartate Receptors.

scientific article

Epigenetic drug discovery special issue

scientific article published on 01 June 2011

Evaluation of potential Myt1 kinase inhibitors by TR-FRET based binding assay

scientific article

Evaluation of the performance of 3D virtual screening programs: docking vs. structure-based pharmacophore

Evolutionary relationships among protein lysine deacetylases of parasites causing neglected diseases

scientific article

First total synthesis of 1,2-dipalmitoyl-3-(N-palmitoyl-6'-amino-6'-deoxy-alpha-D-glucosyl)-sn-glycerol--a glycoglycerolipid of a marine alga with a high inhibitor activity against human Myt1-kinase.

scientific article published on 2 June 2009

Fluorescence-based screening assays for the NAD⁺-dependent histone deacetylase smSirt2 from Schistosoma mansoni.

scientific article published on 16 October 2014

From cosubstrate similarity to inhibitor diversity--inhibitors of ADP-ribosyltransferases from kinase inhibitor screening

scientific article

Generation of a homology model of the human histamine H3 receptor for ligand docking and pharmacophore-based screening

article

Glucocorticoid receptor interactions with glucocorticoids: evaluation by molecular modeling and functional analysis of glucocorticoid receptor mutants

scientific article

HDAC8: a multifaceted target for therapeutic interventions

scientific article published on 23 May 2015

Heterogeneous Antibody-Based Activity Assay for Lysine Specific Demethylase 1 (LSD1) on a Histone Peptide Substrate

scientific article published on 31 March 2014

Histone acetyltransferase inhibitors block neuroblastoma cell growth in vivo

scientific article

Histone deacetylase 8 interacts with the GTPase SmRho1 in Schistosoma mansoni

scientific article published on 29 November 2021

Histone deacetylase inhibitors that target tubulin

scientific article published on 05 March 2009

Homo and Heterodimer Ligands: the Twin Drug Approach

scholarly article published 2008

Homology modeling and molecular dynamics simulations of Dengue virus NS2B/NS3 protease: insight into molecular interaction

scientific article published on May 2010

Homology modeling of parasite histone deacetylases to guide the structure-based design of selective inhibitors

scientific article

How to Separate Kinase Inhibition from Undesired Monoamine Oxidase A Inhibition-The Development of the DYRK1A Inhibitor AnnH75 from the Alkaloid Harmine

scientific article published on 16 December 2020

How “drug-like” are naturally occurring anti-cancer compounds?

scientific article published on 24 January 2014

Hydroxymethyl bioisosteres of phenolic GluN2B-selective NMDA receptor antagonists: Design, synthesis and pharmacological evaluation

scientific article published on 18 December 2017

Identification and Structure-Activity Relationship Studies of Small-Molecule Inhibitors of the Methyllysine Reader Protein Spindlin1.

scientific article

Identification of Bichalcones as Sirtuin Inhibitors by Virtual Screening and In Vitro Testing

scientific article published on 14 February 2018

Identification of Bichalcones as Sirtuin Inhibitors by Virtual Screening and in Vitro Testing

Identification of Highly Potent Protein Kinase C-Related Kinase 1 Inhibitors by Virtual Screening, Binding Free Energy Rescoring, and in vitro Testing

scientific article

Identification of peptidic substrates for the human kinase Myt1 using peptide microarrays

scientific article published on 19 May 2015

Imidazole derivatives as a novel class of hybrid compounds with inhibitory histamine N-methyltransferase potencies and histamine hH3 receptor affinities

scientific article published in May 2003

In vitro and in silico studies on substrate recognition and acceptance of human PKMYT1, a Cdk1 inhibitory kinase

scientific article published on 23 November 2011

In vitro cross-linking of elastin peptides and molecular characterization of the resultant biomaterials.

scientific article

Inhibition of bromodomain-mediated protein–protein interactions as a novel therapeutic strategy

article published in 2012

Inhibitors of NAD+ dependent histone deacetylases (sirtuins).

scientific article published on January 2008

Inhibitors of the NAD(+)-Dependent Protein Desuccinylase and Demalonylase Sirt5

scientific article

Inhibitors to understand molecular mechanisms of NAD(+)-dependent deacetylases (sirtuins).

scientific article

Insights into ligand-elicited activation of human constitutive androstane receptor based on novel agonists and three-dimensional quantitative structure-activity relationship

scientific article

Insights into the degradation of human elastin by matrilysin-1.

scientific article

KATching-Up on Small Molecule Modulators of Lysine Acetyltransferases

scientific article

Lestaurtinib inhibits histone phosphorylation and androgen-dependent gene expression in prostate cancer cells

scientific article

Lignans as food constituents with estrogen and antiestrogen activity

scientific article published on 01 September 2011

MMP-14 degrades tropoelastin and elastin

scientific article published on 03 July 2019

Malony-CoA inhibits the S113L variant of carnitine-palmitoyltransferase II.

scientific article

Masitinib (AB1010), a potent and selective tyrosine kinase inhibitor targeting KIT

scientific article

Mind the methyl: methyllysine binding proteins in epigenetic regulation

scientific article published on 21 January 2014

Model of a specific human histamine H3 receptor (hH3R) binding pocket suitable for virtual drug design

scientific article published in April 2005

Molecular basis for the antiparasitic activity of a mercaptoacetamide derivative that inhibits histone deacetylase 8 (HDAC8) from the human pathogen schistosoma mansoni

scientific article

Molecular dynamics simulations of bovine rhodopsin: influence of protonation states and different membrane-mimicking environments

scientific article

Molecular dynamics simulations of the human CAR ligand-binding domain: deciphering the molecular basis for constitutive activity

scientific article

Molecular modeling of potential anticancer agents from African medicinal plants

scientific article published on 25 August 2014

Molecular modeling studies on dengue and West Nile Virus NS2B/NS3 protease inhibitor interaction

Molecular modelling studies on histamine H2- and H3-receptor agonists

N-(omega-(4-(2-methoxyphenyl)piperazin-1-yl)alkyl)carboxamides as dopamine D2 and D3 receptor ligands

scientific article published in August 2003

NAD(+) -dependent histone deacetylases (sirtuins) as novel therapeutic targets

scientific article

Natural Products as Modulators of Sirtuins

scientific article published on 20 July 2020

New in vitro tools to study human constitutive androstane receptor (CAR) biology: discovery and comparison of human CAR inverse agonists

scientific article

Nonpeptidic propargylamines as inhibitors of lysine specific demethylase 1 (LSD1) with cellular activity

scientific article published on 5 September 2013

Novel 3-arylideneindolin-2-ones as inhibitors of NAD+ -dependent histone deacetylases (sirtuins).

scientific article published in February 2010

Novel 4-anilino-α-carboline derivatives induce cell death in nonadhesive breast cancer cells through inhibition of Brk activity

scientific article published on 23 September 2015

Novel Insight into Inhibitor Binding of Highly Symmetric HIV-1 Protease

article

Novel Protein Kinase Inhibitors Related to Tau Pathology Modulate Tau Protein-Self Interaction Using a Luciferase Complementation Assay

scientific article published on 12 September 2018

Novel aspects in structure–activity relationships of profiled 1-aza-9-oxafluorenes as inhibitors of Alzheimer's disease-relevant kinases cdk1, cdk5 and gsk3β

Novel inhibitors of breast cancer relevant kinases Brk and HER2

One-Atom Substitution Enables Direct and Continuous Monitoring of Histone Deacylase Activity

scientific article published on 14 November 2019

P81 sterical and electronical properties of histamine H2-agonists

PARADOCKS – a framework for molecular docking

ParaDockS: a framework for molecular docking with population-based metaheuristics

scientific article

Pharmacological inhibition of lysine-specific demethylase 1 (LSD1) induces global transcriptional deregulation and ultrastructural alterations that impair viability in Schistosoma mansoni

scientific article published on 01 July 2020

Pharmacophore Identification and Pseudo-Receptor Modeling

Pharmacophore Identification and Pseudo-Receptor Modeling

Pharmacophore elucidation and molecular docking studies on 5-phenyl-1-(3-pyridyl)-1h-1,2,4-triazole-3-carboxylic acid derivatives as COX-2 inhibitors

scientific article published on 19 March 2010

Pharmacophore modeling and in silico toxicity assessment of potential anticancer agents from African medicinal plants

scientific article

Phenylalanine-containing hydroxamic acids as selective inhibitors of class IIb histone deacetylases (HDACs)

scientific article

Postprocessing of protein-ligand docking poses using linear response MM-PB/SA: application to Wee1 kinase inhibitors

scientific article

Potent and Selective Inhibitors of Human Sirtuin 5.

scientific article published in March 2018

Proteolysis targeting chimeras (PROTACs) for epigenetics research

scientific article published on 05 March 2020

Pyrido- and benzisothiazolones as inhibitors of histone acetyltransferases (HATs)

Pyridylalanine-containing hydroxamic acids as selective HDAC6 inhibitors

scientific article

Receptor-based 3D QSAR analysis of estrogen receptor ligands--merging the accuracy of receptor-based alignments with the computational efficiency of ligand-based methods

scientific article published on 01 August 2000

Receptor-based 3D-QSAR studies of checkpoint Wee1 kinase inhibitors

scientific article

Rhodanine carboxylic acids as novel inhibitors of histone acetyltransferases

Schistosome sirtuins as drug targets

scientific article published on January 2015

Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.

scientific article

Selectivity Profiling and Biological Activity of Novel β-Carbolines as Potent and Selective DYRK1 Kinase Inhibitors

scientific article

Small molecule inhibitors of histone acetyltransferases as epigenetic tools and drug candidates

scientific article

Small-molecule inhibitor of USP7/HAUSP ubiquitin protease stabilizes and activates p53 in cells

scientific article

Stereochemical and steric control of the UDP-glucuronosyltransferase-catalyzed conjugation reaction: a rational approach for the design of inhibitors for the human UGT2B7.

scientific article published in December 2007

Stereospecific capillary electrophoresis assays using pentapeptide substrates for the study ofAspergillus nidulansmethionine sulfoxide reductase A and mutant enzymes

scientific article published on 08 June 2016

Structural basis for the inhibition of histone deacetylase 8 (HDAC8), a key epigenetic player in the blood fluke Schistosoma mansoni

scientific article

Structure and mechanism of sanguinarine reductase, an enzyme of alkaloid detoxification

scientific article

Structure-Activity Relationship of Propargylamine-Based HDAC Inhibitors.

scientific article published on 9 November 2017

Structure-Based Design and Biological Characterization of Selective Histone Deacetylase 8 (HDAC8) Inhibitors with Anti-Neuroblastoma Activity

scientific article published on 30 November 2017

Structure-Based Design and Computational Studies of Sirtuin Inhibitors

Structure-Based Design and Synthesis of Novel Inhibitors Targeting HDAC8 from Schistosoma mansoni for the Treatment of Schistosomiasis

scientific article

Structure-Based Development of an Affinity Probe for Sirtuin 2

scientific article

Structure-activity studies on splitomicin derivatives as sirtuin inhibitors and computational prediction of binding mode

scientific article published on 13 February 2008

Structure-activity studies on suramin analogues as inhibitors of NAD+-dependent histone deacetylases (sirtuins)

scholarly article by Johannes Trapp et al published 8 October 2007 in ChemMedChem

Structure-based 3D QSAR and design of novel acetylcholinesterase inhibitors

scientific article published in May 2001

Structure-based 3D-QSAR—merging the accuracy of structure-based alignments with the computational efficiency of ligand-based methods

Substituted 2-(2-aminopyrimidin-4-yl)pyridine-4-carboxylates as potent inhibitors of JumonjiC domain-containing histone demethylases

scientific article

Synthesis and Biological Investigation of Oxazole Hydroxamates as Highly Selective Histone Deacetylase 6 (HDAC6) Inhibitors

scientific article

Synthesis and Biological Investigation of Phenothiazine-Based Benzhydroxamic Acids as Selective Histone Deacetylase 6 Inhibitors

scientific article published on 01 February 2019

Synthesis and biological evaluation of 8-hydroxy-2,7-naphthyridin-2-ium salts as novel inhibitors of acetylcholinesterase (AChE) and butyrylcholinesterase (BChE)

Synthesis and biological evaluation of enantiomerically pure glyceric acid derivatives as LpxC inhibitors

scientific article

Synthesis and biological testing of novel pyridoisothiazolones as histone acetyltransferase inhibitors

scientific article published on 2 February 2011

Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as Sm HDAC8 Inhibitors for the Treatment of Schistosomiasis

scientific article published on 4 July 2018

Synthesis, biological characterisation and structure activity relationships of aromatic bisamidines active against Plasmodium falciparum

scientific article published on 23 December 2016

Synthesis, biological evaluation and molecular docking studies of benzyloxyacetohydroxamic acids as LpxC inhibitors

scientific article

Target-based approach to inhibitors of histone arginine methyltransferases

scientific article published on 14 April 2007

Targeting epigenetic modifiers: Inhibitors of histone methyltransferases

article published in 2010

Targeting histone deacetylase 8 as a therapeutic approach to cancer and neurodegenerative diseases

scientific article published on 30 August 2016

The Clinically Used Iron Chelator Deferasirox Is an Inhibitor of Epigenetic JumonjiC Domain-Containing Histone Demethylases

scientific article published on 19 July 2019

The chemistry and bioactivity of Southern African flora II: flavonoids, quinones and minor compound classes

scholarly article in RSC Advances, vol. 5 no. 71, 2015

The emerging therapeutic potential of histone methyltransferase and demethylase inhibitors

scientific article published on October 2009

The glycoglycerolipid 1,2-dipalmitoyl-3-(N-palmitoyl-6'-amino-6'-deoxy-α-d-glucosyl)-sn-glycerol is no inhibitor of the human Myt1 kinase

scientific article published on 18 June 2014

The potential of anti-malarial compounds derived from African medicinal plants, part I: a pharmacological evaluation of alkaloids and terpenoids

scientific article published on 13 December 2013

The potential of anti-malarial compounds derived from African medicinal plants, part II: a pharmacological evaluation of non-alkaloids and non-terpenoids

scientific article

The potential of anti-malarial compounds derived from African medicinal plants: a review of pharmacological evaluations from 2013 to 2019

scientific article published on 18 May 2020

The role of histone demethylases in cancer therapy

scientific article

The uniqueness and therapeutic value of natural products from West African medicinal plants, part II: terpenoids, geographical distribution and drug discovery

article

The uniqueness and therapeutic value of natural products from West African medicinal plants, part III: least abundant compound classes

article

The uniqueness and therapeutic value of natural products from West African medicinal plants. Part I: uniqueness and chemotaxonomy

article

Thiobarbiturates as sirtuin inhibitors: virtual screening, free-energy calculations, and biological testing

scientific article

Three-Component Aminoalkylations Yielding Dihydronaphthoxazine-Based Sirtuin Inhibitors: Scaffold Modification and Exploration of Space for Polar Side-Chains.

scientific article published on 26 May 2017

Tofacitinib and analogs as inhibitors of the histone kinase PRK1 (PKN1).

scientific article

Two-Step Synthesis of Novel, Bioactive Derivatives of the Ubiquitous Cofactor Nicotinamide Adenine Dinucleotide (NAD)

scientific article published on 29 April 2011

Ubiquitin-specific proteases as cancer drug targets

scientific article published on May 2011

Virtual screening and biological characterization of novel histone arginine methyltransferase PRMT1 inhibitors

scientific article

Virtual screening of PRK1 inhibitors: ensemble docking, rescoring using binding free energy calculation and QSAR model development

scientific article

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