Publications by authors named "Dina Robaa"

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Novel selective indole based histone deacetylase 10 inhibitors as anticancer therapeutics.
Amer H Tarawneh, Salah A Al-Trawneh, Talha Z Yesiloglu, Matthes Zessin, Dina Robaa

Sci Rep· September 2025

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HADDOCK-Guided modeling and molecular simulations of cereblon-based ternary complexes: Development of novel PROTACs for Ataxia telangiectasia and RAD3-Related (ATR) kinase.
Anne-Christin Sarnow, Husam Nassar, Abdallah M Alfayomy, Dina Robaa, Wolfgang Sippl

Comput Biol Med· August 2025

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Ternary Complex Modeling, Induced Fit Docking and Molecular Dynamics Simulations as a Successful Approach for the Design of VHL-Mediated PROTACs Targeting the Kinase FLT3.
Husam Nassar, Anne-Christin Sarnow, Ismail Celik, Mohamed Abdelsalam, Dina Robaa

Arch Pharm (Weinheim)· April 2025

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Synthesis and Antimycobacterial Assays of Some New Ethambutol Analogs.
Rana Abdelaziz, Mthandazo Dube, Lea Mann, Adrian Richter, Dina Robaa

Molecules· January 2025

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Predicting fragment binding modes using customized Lennard-Jones potentials in short molecular dynamics simulations.
Christopher Vorreiter, Dina Robaa, Wolfgang Sippl

Comput Struct Biotechnol J· December 2024

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Aromatic Amino Acid Hydroxylases as Off-Targets of Histone Deacetylase Inhibitors.
Anne Baumann, Niklas Papenkordt, Dina Robaa, Peter D Szigetvari, Anja Vogelmann

ACS Chem Neurosci· November 2024

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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

Arch Pharm (Weinheim)· October 2024

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Exploring Aromatic Cage Flexibility Using Cosolvent Molecular Dynamics Simulations─An In-Silico Case Study of Tudor Domains.
Christopher Vorreiter, Dina Robaa, Wolfgang Sippl

J Chem Inf Model· June 2024

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Fatty acid binding to the human transport proteins FABP3, FABP4, and FABP5 from a Ligand's perspective.
Sebastian Michler, Florian Arndt Schöffmann, Dina Robaa, Jonas Volmer, Dariush Hinderberger

J Biol Chem· June 2024

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Structure-Activity Studies of 1,2,4-Oxadiazoles for the Inhibition of the NAD-Dependent Lysine Deacylase Sirtuin 2.
Arianna Colcerasa, Florian Friedrich, Jelena Melesina, Patrick Moser, Anja Vogelmann, Dina Robaa

J Med Chem· June 2024

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Direct GPCR-EGFR interaction enables synergistic membrane-to-nucleus information transfer.
Michael Gekle, Robert Eckenstaler, Heike Braun, Abdurrahman Olgac, Dina Robaa

Cell Mol Life Sci· June 2024

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Specific Inhibitors of Mitochondrial Deacylase Sirtuin 4 Endowed with Cellular Activity.
Martin Pannek, Zayan Alhalabi, Daniela Tomaselli, Martina Menna, Francesco Fiorentino, Dina Robaa

J Med Chem· February 2024

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Comparative Structure-Based Virtual Screening Utilizing Optimized AlphaFold Model Identifies Selective HDAC11 Inhibitor.
Fady Baselious, Sebastian Hilscher, Dina Robaa, Cyril Barinka, Mike Schutkowski

Int J Mol Sci· January 2024

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Utilization of AlphaFold models for drug discovery: Feasibility and challenges. Histone deacetylase 11 as a case study.
Fady Baselious, Dina Robaa, Wolfgang Sippl

Comput Biol Med· December 2023

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Application of Ligand- and Structure-Based Prediction Models for the Design of Alkylhydrazide-Based HDAC3 Inhibitors as Novel Anti-Cancer Compounds.
Emre F Bülbül, Dina Robaa, Ping Sun, Fereshteh Mahmoudi, Jelena Melesina

Pharmaceuticals (Basel)· July 2023

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Chemically Diverse S. mansoni HDAC8 Inhibitors Reduce Viability in Worm Larval and Adult Stages.
Beatrice Noce, Elisabetta Di Bello, Clemens Zwergel, Rossella Fioravanti, Sergio Valente, Dina Robaa

ChemMedChem· February 2023

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Development of Alkylated Hydrazides as Highly Potent and Selective Class I Histone Deacetylase Inhibitors with T cell Modulatory Properties.
Ping Sun, Jing Wang, Khadija S Khan, Weiqin Yang, Billy Wai-Lung Ng, Dina Robaa

J Med Chem· December 2022

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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

Chembiochem· July 2022

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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, Dina Robaa

Int J Mol Sci· July 2022

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Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells.
Patrik Zeyen, Yanira Zeyn, Daniel Herp, Fereshteh Mahmoudi, Talha Z Yesiloglu, Dina Robaa

Eur J Med Chem· April 2022

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Docking, Binding Free Energy Calculations and In Vitro Characterization of Pyrazine Linked 2-Aminobenzamides as Novel Class I Histone Deacetylase (HDAC) Inhibitors.
Emre F Bülbül, Jelena Melesina, Hany S Ibrahim, Mohamed Abdelsalam, Anita Vecchio, Dina Robaa

Molecules· April 2022

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Structure-Activity Relationship of Anti- Piperidine-4-carboxamides, a New Class of NBTI DNA Gyrase Inhibitors.
Andreas Beuchel, Dina Robaa, Dereje A Negatu, Abdeldjalil Madani, Nadine Alvarez

ACS Med Chem Lett· March 2022

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Histone Deacetylase (HDAC) Inhibitors for the Treatment of Schistosomiasis.
Ehab Ghazy, Mohamed Abdelsalam, Dina Robaa, Raymond J Pierce, Wolfgang Sippl

Pharmaceuticals (Basel)· January 2022

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Synthesis, structure-activity relationships, cocrystallization and cellular characterization of novel smHDAC8 inhibitors for the treatment of schistosomiasis.
Ehab Ghazy, Tino Heimburg, Julien Lancelot, Patrik Zeyen, Karin Schmidtkunz, Dina Robaa

Eur J Med Chem· December 2021

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Synthesis, Molecular Docking and Biological Characterization of Pyrazine Linked 2-Aminobenzamides as New Class I Selective Histone Deacetylase (HDAC) Inhibitors with Anti-Leukemic Activity.
Hany S Ibrahim, Mohamed Abdelsalam, Yanira Zeyn, Matthes Zessin, Al-Hassan M Mustafa, Dina Robaa

Int J Mol Sci· December 2021

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