Robaa, Dina

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

Heimburg, T., Chakrabarti, A., Lancelot, J., Marek, M., Melesina, J., Hauser, A.-T., Shaik, T. B., Duclaud, S., Robaa, D., Erdmann, F., et al. (2016) · Journal of Medicinal Chemistry

Histone Deacetylase Inhibitors ResearchParasites and Host Interactions

Cited by 124

Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants

Marek, M., Shaik, T. B., Heimburg, T., Chakrabarti, A., Lancelot, J., Ramos-Morales, E., Da Veiga, C., Kalinin, D., Melesina, J., Robaa, D., et al. (2018) · Journal of Medicinal Chemistry

Histone Deacetylase Inhibitors ResearchEnzyme function and inhibition

Cited by 122

Strategies To Design Selective Histone Deacetylase Inhibitors

Melesina, J., Simoben, C. V., Praetorius, L., Bülbül, E. F., Robaa, D., & Sippl, W. (2021) · ChemMedChem

Histone Deacetylase Inhibitors ResearchEnzyme function and inhibition

Cited by 118

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

Vögerl, K., Ong, N., Senger, J., Herp, D., Schmidtkunz, K., Marek, M., Müller, M., Bartel, K., Shaik, T. B., Porter, N. J., et al. (2019) · Journal of Medicinal Chemistry

Histone Deacetylase Inhibitors ResearchPhenothiazines and Benzothiazines Synthesis and Activities

Cited by 104

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

Heimburg, T., Kolbinger, F. R., Zeyen, P., Ghazy, E., Herp, D., Schmidtkunz, K., Melesina, J., Shaik, T. B., Erdmann, F., Schmidt, M., et al. (2017) · Journal of Medicinal Chemistry

Histone Deacetylase Inhibitors ResearchEnzyme function and inhibition

Cited by 92

Synthesis, Molecular Docking and Biological Characterization of Pyrazine Linked 2-Aminobenzamides as New Class I Selective Histone Deacetylase (HDAC) Inhibitors with Anti-Leukemic Activity

Ibrahim, H. S., Abdelsalam, M., Zeyn, Y., Zessin, M., Mustafa, A.-H. M., Fischer, M. A., Zeyen, P., Sun, P., Bülbül, E. F., Vecchio, A., et al. (2021) · International Journal of Molecular Sciences

Histone Deacetylase Inhibitors ResearchHeterocyclic Compound Synthesis and Bioactivity

Cited by 50

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

Simoben, C., Robaa, D., Chakrabarti, A., Schmidtkunz, K., Marek, M., Lancelot, J., Kannan, S., Melesina, J., Shaik, T., Pierce, R., et al. (2018) · Molecules

Histone Deacetylase Inhibitors ResearchComputational Drug Discovery Methods

Cited by 44

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

Baselious, F., Hilscher, S., Robaa, D., Barinka, C., Schutkowski, M., & Sippl, W. (2023) · International Journal of Molecular Sciences

Computational Drug Discovery MethodsHistone Deacetylase Inhibitors Research

Cited by 32

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

Baselious, F., Hilscher, S., Robaa, D., Barinka, C., Schutkowski, M., & Sippl, W. (2024) · International Journal of Molecular Sciences

Computational Drug Discovery MethodsHistone Deacetylase Inhibitors Research

Cited by 32

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

Baselious, F., Hilscher, S., Robaa, D., Barinka, C., Schutkowski, M., & Sippl, W. (2024) · International Journal of Molecular Sciences

Computational Drug Discovery MethodsHistone Deacetylase Inhibitors Research

Cited by 32

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

Bayer, T., Chakrabarti, A., Lancelot, J., Shaik, T. B., Hausmann, K., Melesina, J., Schmidtkunz, K., Marek, M., Erdmann, F., Schmidt, M., et al. (2018) · ChemMedChem

Histone Deacetylase Inhibitors ResearchParasites and Host Interactions

Cited by 23

Utilization of AlphaFold models for drug discovery: Feasibility and challenges. Histone deacetylase 11 as a case study

Baselious, F., Robaa, D., & Sippl, W. (2023) · Computers in Biology and Medicine

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 20

Utilization of an optimized AlphaFold protein model for structure‐based design of a selective HDAC11 inhibitor with anti‐neuroblastoma activity

Baselious, F., Hilscher, S., Hagemann, S., Tripathee, S., Robaa, D., Barinka, C., Hüttelmaier, S., Schutkowski, M., & Sippl, W. (2024) · Archiv der Pharmazie

Histone Deacetylase Inhibitors ResearchComputational Drug Discovery Methods

Cited by 16

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

Baselious, F., Hilscher, S., Hagemann, S., Tripathee, S., Robaa, D., Barinka, C., Hüttelmaier, S., Schutkowski, M., & Sippl, W. (2024) · Archiv der Pharmazie

Histone Deacetylase Inhibitors ResearchComputational Drug Discovery Methods

Cited by 16