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Theoretical and Computational Chemistry

Working Paper

Utilization of AlphaFold Models for Drug Discovery: Feasibility and Challenges. Histone Deacetylase 11 as a Case Study

Fady Baselious, Dina Robaa, Wolfgang Sippl

Version 1 posted 26 October 2023

223

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Biological and Medicinal Chemistry

Working Paper

Comparative Structure Based Virtual Screening Utilizing Optimized AlphaFold Model Identifies Selective HDAC11 Inhibitor

Fady Baselious, Sebastian Hilscher, Dina Robaa, Cyril Barinka, Mike Schutkowski, Wolfgang Sippl

Version 2 posted 18 January 2024

173

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Biological and Medicinal Chemistry

Working Paper

Utilization of an Optimized AlphaFold Protein Model for Structure-Based Design of a Selective HDAC11 Inhibitor with Anti-neuroblastoma Activity

Fady Baselious, Sebastian Hilscher, Sven Hagemann, Sunita Tripathee, Dina Robaa, Cyril Barinka, Stefan Hüttelmaier, Mike Schutkowski, Wolfgang Sippl

Version 1 posted 09 January 2024

164

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Biological and Medicinal Chemistry

Working Paper

Design, Synthesis and Biological Characterization of Histone Deacetylase 8 (HDAC8) Proteolysis Targeting Chimeras (PROTACs) with Anti-Neuroblastoma Activity

Salma Darwish, Ehab Ghazy, Tino Heimburg, Daniel Herp, Patrik Zeyen, Rabia Salem-Altintas, Johannes Ridinger, Karin Schmidtkunz, Dina Robaa, Frank Erdmann, Matthias Schmidt, Christophe Romier, Manfred Jung, Ina Oehme, Wolfgang Sippl

Version 2 posted 25 May 2022

725

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1

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Biological and Medicinal Chemistry

Working Paper

Development of alkylated hydrazides as highly potent and selective class I HDAC inhibitors with T cell modulatory properties

Ping Sun, Jing Wang, Khadija S. Khan, Weiqin Yang, Wai-Lung (Billy) Ng, Nikita Ilment, Matthes Zessin, Emre F. Bülbül, Dina Robaa, Frank Erdmann, Matthias Schmidt, Christophe Romier, Mike Schutkowski, Alfred Sze-Lok Cheng, Wolfgang Sippl

Version 1 posted 15 July 2022

589

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Biological and Medicinal Chemistry

Working Paper

First fluorescent acetylspermidine deacetylation assay for HDAC10 identifies selective inhibitors with cellular target engagement

Daniel Herp, Johannes Ridinger, Dina Robaa, Stephen A. Shinsky, Karin Schmidtkunz, Talha Z. Yesiloglu, Theresa Bayer, Raphael R. Steimbach, Corey J. Herbst-Gervasoni, Annika Merz, Christophe Romier, Peter Sehr, Nikolas Gunkel, Aubry K. Miller, David W. Christianson, Ina Oehme, Wolfgang Sippl, Manfred Jung

Version 4 posted 30 March 2022

1,262

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Biological and Medicinal Chemistry

Working Paper

Identification of HDAC10 Inhibitors that Modulate Autophagy in Transformed Cells

Patrik Zeyen, Yanira Zeyn, Daniel Herp, Fereshteh Mahmoudi, Talha Yesiloglu, Frank Erdmann, Matthias Schmidt, Dina Robaa, Christophe Romier, Johannes Ridinger, Corey J. Herbst-Gervasoni, David Christianson, Ina Oehme, Manfred Jung, Oliver H. Kraemer, Wolfgang Sippl

Version 2 posted 08 March 2022

516

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Biological and Medicinal Chemistry

Working Paper

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

Manfred Jung, Martin Roatsch, Inga Hoffmann, Martine I. Abboud, Rebecca L. Hancock, Hanna Tarhonskaya, Kuo-Feng Hsu, Sarah E. Wilkins, Tzu-lan Yeh, Kerstin Lippl, Kerstin Serrer, Isabelle Moneke, Theresa D. Ahrens, Dina Robaa, Sandra Wenzler, Henriette Franz, Wolfgang Sippl, Silke Lassmann, Sven Diederichs, Erik Schleicher, Christopher J. Schofield, Akane Kawamura, Roland Schüle

Version 3 posted 09 July 2019

1,181

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Biological and Medicinal Chemistry

Working Paper

HaloTag-Targeted Sirtuin Rearranging Ligand (SirReal) for the Development of Proteolysis Targeting Chimeras (PROTACs) Against the Lysine Deacetylase Sirtuin 2 (Sirt2)

Matthias Schiedel, Attila Lehotzky, Sándor Szunyogh, Judit Oláh, Sören Hammelmann, Nathalie Wössner, Dina Robaa, Oliver Einsle, Wolfgang Sippl, Judit Ovádi, Manfred Jung

Version 1 posted 27 May 2020

513

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9 results in Dina Robaa in Authors: Dina Robaa

Utilization of AlphaFold Models for Drug Discovery: Feasibility and Challenges. Histone Deacetylase 11 as a Case Study

Comparative Structure Based Virtual Screening Utilizing Optimized AlphaFold Model Identifies Selective HDAC11 Inhibitor

Utilization of an Optimized AlphaFold Protein Model for Structure-Based Design of a Selective HDAC11 Inhibitor with Anti-neuroblastoma Activity

Design, Synthesis and Biological Characterization of Histone Deacetylase 8 (HDAC8) Proteolysis Targeting Chimeras (PROTACs) with Anti-Neuroblastoma Activity

Development of alkylated hydrazides as highly potent and selective class I HDAC inhibitors with T cell modulatory properties

First fluorescent acetylspermidine deacetylation assay for HDAC10 identifies selective inhibitors with cellular target engagement

Identification of HDAC10 Inhibitors that Modulate Autophagy in Transformed Cells

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

HaloTag-Targeted Sirtuin Rearranging Ligand (SirReal) for the Development of Proteolysis Targeting Chimeras (PROTACs) Against the Lysine Deacetylase Sirtuin 2 (Sirt2)

9 results in Authors: Dina Robaa