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From Medicinal Chemistry to Human Health: Current Approaches to Drug Discovery for Cancer and Neglected Tropical Diseases

Ferreira, L. L. G., Oliva, G., & Andricopulo, A. D. (2018) · Anais da Academia Brasileira de Ciências · doi:10.1590/0001-3765201820170505 · Cited by 26 · see citing works

Drug combinatorics and side effect estimation on the signed human drug-target network

Torres, N. B., & Altafini, C. (2016) · BMC Systems Biology · doi:10.1186/s12918-016-0326-8 · Cited by 26 · see citing works

Hybrid Mass Spectrometry Approaches to Determine How L-Histidine Feedback Regulates the Enzyzme MtATP-Phosphoribosyltransferase

Pacholarz, K. J., Burnley, R. J., Jowitt, T. A., Ordsmith, V., Pisco, J. P., Porrini, M., Larrouy-Maumus, G. J., Garlish, R. A., Taylor, R. J., de Carvalho, L. P. S., et al. (2017) · Structure · doi:10.1016/j.str.2017.03.005 · Cited by 25 · see citing works

Exploiting the MDM2-CK1α Protein-Protein Interface to Develop Novel Biologics That Induce UBL-Kinase-Modification and Inhibit Cell Growth

Huart, A.-S., MacLaine, N. J., Narayan, V., & Hupp, T. R. (2012) · PLoS ONE · doi:10.1371/journal.pone.0043391 · Cited by 25 · see citing works

Natural product-inspired strategies towards the discovery of novel bioactive molecules

Gagare, S. S., Patil, P., & Jain, A. (2024) · Future Journal of Pharmaceutical Sciences · doi:10.1186/s43094-024-00627-z · Cited by 24 · see citing works

Imidazole Nitrogens of Two Histidine Residues Participating in N–H···N Hydrogen Bonds in Protein Structures: Structural Bioinformatics Approach Combined with Quantum Chemical Calculations

Iyer, A. H., Deepak, R. N. V. K., & Sankararamakrishnan, R. (2017) · The Journal of Physical Chemistry B · doi:10.1021/acs.jpcb.7b11737 · Cited by 24 · see citing works

From Determinants of RUNX1/ETO Tetramerization to Small-Molecule Protein–Protein Interaction Inhibitors Targeting Acute Myeloid Leukemia

Metz, A., Schanda, J., Grez, M., Wichmann, C. W., & Gohlke, H. (2013) · Journal of Chemical Information and Modeling · doi:10.1021/ci400332e · Cited by 24 · see citing works

Design of Drug‐Like Protein–Protein Interaction Stabilizers Guided By Chelation‐Controlled Bioactive Conformation Stabilization

Bosica, F., Andrei, S. A., Neves, J. F., Brandt, P., Gunnarsson, A., Landrieu, I., Ottmann, C., & O'Mahony, G. (2020) · Chemistry - A European Journal · doi:10.1002/chem.202001608 · Cited by 24 · see citing works

Which cryptic sites are feasible drug targets?

Lazou, M., Kozakov, D., Joseph‐McCarthy, D., & Vajda, S. (2024) · Drug Discovery Today · doi:10.1016/j.drudis.2024.104197 · Cited by 23 · see citing works

Novel Physics-Based Ensemble Modeling Approach That Utilizes 3D Molecular Conformation and Packing to Access Aqueous Thermodynamic Solubility: A Case Study of Orally Available Bromodomain and Extraterminal Domain Inhibitor Lead Optimization Series

Hong, R. S., Mattei, A., Sheikh, A. Y., Bhardwaj, R. M., Bellucci, M. A., McDaniel, K. F., Pierce, M. O., Sun, G., Li, S., Wang, L., et al. (2021) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.0c01410 · Cited by 23 · see citing works

Chemoisosterism in the Proteome

Jalencas, X., & Mestres, J. (2013) · Journal of Chemical Information and Modeling · doi:10.1021/ci3002974 · Cited by 23 · see citing works

Structural conservation of druggable hot spots in protein–protein interfaces

Kozakov, D., Hall, D. R., Chuang, G., Cencic, R., Brenke, R., Grove, L. E., Beglov, D., Pelletier, J., Whitty, A., & Vajda, S. (2011) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1101835108 · Cited by 245 · see citing works

Finding Small Molecule Ligands for Protein-Protein Interactions and Other “Undruggable” Targets

Arkin, M. R. (2010) · Biophysical Journal · doi:10.1016/j.bpj.2009.12.2216

Protein Flexibility: A Challenging Issue of Drug Discovery

Gupta, S. P. (2018) · Current Chemical Biology · doi:10.2174/2212796812666180524100212 · Cited by 3 · see citing works

Emerging Target Families: Intractable Targets

Knapp, S. (2015) · Handbook of experimental pharmacology · doi:10.1007/164_2015_28 · Cited by 9 · see citing works

How Different are Structurally Flexible and Rigid Binding Sites? Sequence and Structural Features Discriminating Proteins that Do and Do not Undergo Conformational Change upon Ligand Binding

Gunasekaran, K., & Nussinov, R. (2006) · Journal of Molecular Biology · doi:10.1016/j.jmb.2006.09.062 · Cited by 145 · see citing works