Mu.Ta.Lig - COST ACTION CA15135

Scientific Publications

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  1. Reis, J.; Cagide, F.; Chavarria, D.; Silva, T.; Fernandes, C.; Gaspar, A.; Uriarte, E.; Remião, F.; Alcaro, S.; Ortuso, F.; Borges, F. Discovery of New Chemical Entities for Old Targets: Insights on the Lead Optimization of Chromone-Based Monoamine Oxidase B (MAO-B) Inhibitors. Journal of Medicinal Chemistry 2016, 59, 5879–5893.
  2. Silva, T.; Mohamed, T.; Shakeri, A.; Rao, P. P. N.; Martínez-González, L.; Pérez, D. I.; Martínez, A.; Valente, M. J.; Garrido, J.; Uriarte, E.; Serrao, P.; Soares-da-Silva, P.; Remiao, F.; Borges, F. Development of Blood–Brain Barrier Permeable Nitrocatechol-Based Catechol O-Methyltransferase Inhibitors with Reduced Potential for Hepatotoxicity. Journal of Medicinal Chemistry 2016, 59, 7584–7597.
  3. Kahraman, D. C.; Hanquet, G.; Jeanmart, L.; Lanners, S.; Šramel, P.; Boháč, A.; Cetin-Atalay, R. Quinoides and VEGFR2 TKIs Influence the Fate of Hepatocellular Carcinoma and Its Cancer Stem Cells. MedChemComm 2017, 8, 81–87.
  4. Yetik-Anacak, G.; Sevin, G.; Ozzayım, O.; Dereli, M. V.; Ahmed, A. Hydrogen Sulfide: A Novel Mechanism for the Vascular Protection by Resveratrol under Oxidative Stress in Mouse Aorta. Vascular Pharmacology 2016, 87, 76–82.
  5. Khanfar, M. A.; Affini, A.; Lutsenko, K.; Nikolic, K.; Butini, S.; Stark, H. Multiple Targeting Approaches on Histamine H3 Receptor Antagonists. Frontiers in Neuroscience 2016, 10, 1-17.
  6. Butini, S.; Nikolic, K.; Kassel, S.; Brückmann, H.; Filipic, S.; Agbaba, D.; Gemma, S.; Brogi, S.; Brindisi, M.; Campiani, G.; Stark, H. Polypharmacology of Dopamine Receptor Ligands. Progress in Neurobiology 2016, 142, 68–103.
  7. Sadek, B. S.; Saad, A.; Latacz, G.; Kuder, K.; Olejarz, A.; Karcz, T.; Stark, H.; Kiec´-Kononowicz, K. Non-Imidazole-Based Histamine H3 Receptor Antagonists with Anticonvulsant Activity in Different Seizure Models in Male Adult Rats. Drug Design, Development and Therapy 2016, 10, 3879–3898.
  8. Vogt, D.; Stark, H. Therapeutic Strategies and Pharmacological Tools Influencing S1P Signaling and Metabolism. Medicinal Research Reviews 2016, 37 (1), 3–51.
  9. Costa, G.; Rocca, R.; Moraca, F.; Talarico, C.; Romeo, I.; Ortuso, F.; Alcaro, S.; Artese, A. A Comparative Docking Strategy to Identify Polyphenolic Derivatives as Promising Antineoplastic Binders of G-Quadruplex DNAc-Mycandbcl-2Sequences. Molecular Informatics 2016, 35, 391–402.
  10. Costa, G.; Gidaro, M. C.; Vullo, D.; Supuran, C. T.; Alcaro, S. Active Components of Essential Oils as Anti-Obesity Potential Drugs Investigated by in Silico Techniques. Journal of Agricultural and Food Chemistry 2016, 64, 5295–5300.


  1. Murár, M.; Dobiaš, J.; Šramel, P.; Addová, G.; Hanquet, G.; Boháč, A. Novel CLK1 Inhibitors Based on N-Aryloxazol-2-Amine Skeleton – A Possible Way to Dual VEGFR2 TK/CLK Ligands. European Journal of Medicinal Chemistry 2017, 126, 754–761.
  2. Rocca, R.; Moraca, F.; Costa, G.; Nadai, M.; Scalabrin, M.; Talarico, C.; Distinto, S.; Maccioni, E.; Ortuso, F.; Artese, A.; Alcaro, S.; Richter, SN. Identification of G-Quadruplex DNA/RNA Binders: Structure-Based Virtual Screening and Biophysical Characterization. Biochimica et Biophysica Acta (BBA) – General Subjects 2017, 1861, 1329–1340.
  3. Hroch, L.; Guest, P.; Benek, O.; Soukup, O.; Janockova, J.; Dolezal, R.; Kuca, K.; Aitken, L.; Smith, T. K.; Gunn-Moore, F.; Zala, D.; Ramsay, RR.; Musilek, K. Synthesis and Evaluation of Frentizole-Based Indolyl Thiourea Analogues as MAO/ABAD Inhibitors for Alzheimer’s Disease Treatment. Bioorganic & Medicinal Chemistry 2017, 25, 1143–1152.
  4. Moraca, F.; Amato, J.; Ortuso, F.; Artese, A.; Pagano, B.; Novellino, E.; Alcaro, S.; Parrinello, M.; Limongelli, V. Ligand Binding to Telomeric G-Quadruplex DNA Investigated by Funnel-Metadynamics Simulations. Proceedings of the National Academy of Sciences 2017, 114, E2136–E2145.
  5. Alaoui, S.; Dufies, M.; Driowya, M.; Demange, L.; Bougrin, K.; Robert, G.; Auberger, P.; Pagès, G.; Benhida, R. Synthesis and Anti-Cancer Activities of New Sulfonamides 4-Substituted-Triazolyl Nucleosides. Bioorganic & Medicinal Chemistry Letters 2017, 27, 1989–1992.
  6. Sonar, V. P.; Corona, A.; Distinto, S.; Maccioni, E.; Meleddu, R.; Fois, B.; Floris, C.; Malpure, N. V.; Alcaro, S.; Tramontano, E.; Cottiglia, F. Natural Product-Inspired Esters and Amides of Ferulic and Caffeic Acid as Dual Inhibitors of HIV-1 Reverse Transcriptase. European Journal of Medicinal Chemistry 2017, 130, 248–260.
  7. Cruz-Monteagudo, M.; Schürer, S.; Tejera, E.; Pérez-Castillo, Y.; Medina-Franco, J. L.; Sánchez-Rodríguez, A.; Borges, F. Systemic QSAR and Phenotypic Virtual Screening: Chasing Butterflies in Drug Discovery. Drug Discovery Today 2017, 22, 994–1007.
  8. Smirnovienė, J.; Smirnovas, V.; Matulis, D. Picomolar Inhibitors of Carbonic Anhydrase: Importance of Inhibition and Binding Assays. Analytical Biochemistry 2017, 522, 61–72.
  9. Zubrienė, A.; Smirnov, A.; Dudutienė, V.; Timm, D. D.; Matulienė, J.; Michailovienė, V.; Zakšauskas, A.; Manakova, E.; Gražulis, S.; Matulis, D. Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases. ChemMedChem 2016, 12, 161–176.
  10. Vaškevičienė, I.; Paketurytė, V.; Zubrienė, A.; Kantminienė, K.; Mickevičius, V.; Matulis, D. N -Sulfamoylphenyl- and N -Sulfamoylphenyl- N -Thiazolyl-β-Alanines and Their Derivatives as Inhibitors of Human Carbonic Anhydrases. Bioorganic Chemistry 2017, 75, 16–29.
  11. Tejera, E.; Cruz-Monteagudo, M.; Burgos, G.; Sánchez, M.-E.; Sánchez-Rodríguez, A.; Pérez-Castillo, Y.; Borges, F.; Cordeiro, M. N. D. S.; Paz-y-Miño, C.; Rebelo, I. Consensus Strategy in Genes Prioritization and Combined Bioinformatics Analysis for Preeclampsia Pathogenesis. BMC Medical Genomics 2017, 10, 1-19.
  12. Fonseca, A.; Reis, J.; Silva, T.; Matos, M. J.; Bagetta, D.; Ortuso, F.; Alcaro, S.; Uriarte, E.; Borges, F. Coumarin versus Chromone Monoamine Oxidase B Inhibitors: Quo Vadis? Journal of Medicinal Chemistry 2017, 60, 7206–7212.
  13. Sánchez-Rodríguez, A.; Pérez-Castillo, Y.; Schürer, S. C.; Nicolotti, O.; Mangiatordi, G. F.; Borges, F.; Cordeiro, M. N. D. S.; Tejera, E.; Medina-Franco, J. L.; Cruz-Monteagudo, M. From Flamingo Dance to (Desirable) Drug Discovery: A Nature-Inspired Approach. Drug Discovery Today 2017, 22, 1489–1502.
  14. Reis, J.; Gaspar, A.; Milhazes, N.; Borges, F. Chromone as a Privileged Scaffold in Drug Discovery: Recent Advances. Journal of Medicinal Chemistry 2017, 60, 7941–7957.
  15. Panek, D.; Wichur, T.; Godyń, J.; Pasieka, A.; Malawska, B. Advances toward Multifunctional Cholinesterase and β-Amyloid Aggregation Inhibitors. Future Medicinal Chemistry 2017, 9, 1835–1854.
  16. Krátký, M.; Dzurková, M.; Janoušek, J.; Konečná, K.; Trejtnar, F.; Stolaříková, J.; Vinšová, J. Sulfadiazine Salicylaldehyde-Based Schiff Bases: Synthesis, Antimicrobial Activity and Cytotoxicity. Molecules 2017, 22, 1573.
  17. Sestito, S.; Nesi, G.; Pi, R.; Macchia, M.; Rapposelli, S. Hydrogen Sulfide: A Worthwhile Tool in the Design of New Multitarget Drugs. Frontiers in Chemistry 2017, 5.
  18. Oliveira, C.; Benfeito, S.; Fernandes, C.; Cagide, F.; Silva, T.; Borges, F. NO and HNO Donors, Nitrones, and Nitroxides: Past, Present, and Future. Medicinal Research Reviews 2017, 38, 1159–1187.
  19. Seck, R.; Gassama, A.; Nour, M.; Demange, L.; Cavé, C. Asymmetric Synthesis of Glutamate Derivatives. Arkivoc 2017, 2017, 51–62.
  20. Palomino-Schätzlein, M.; Montaño, M.; Escrig, P.; Boira, H.; Corma, A.; Pineda-Lucena, A.; Primo, J.; Cabedo, N. Identification of Bioactive Compounds in Polar and Nonpolar Extracts of Araujia Sericifera. Planta Medica International Open 2017, 4, e93–e103.
  21. Dagan-Wiener, A.; Nissim, I.; Ben Abu, N.; Borgonovo, G.; Bassoli, A.; Niv, M. Y. Bitter or Not? BitterPredict, a Tool for Predicting Taste from Chemical Structure. Scientific Reports 2017, 7.
  22. Kretschmer, S. B. M.; Woltersdorf, S.; Vogt, D.; Lillich, F. F.; Rühl, M.; Karas, M.; Maucher, I. V.; Roos, J.; Häfner, A.-K.; Kaiser, A.; Wurglics, M.; Schubert-Zsilavecz, M.; Angioni, C.; Geisslinger. G.; Stark, H.; Steinhilber, D.; Hofmanna, B. Characterization of the Molecular Mechanism of 5-Lipoxygenase Inhibition by 2-Aminothiazoles. Biochemical Pharmacology 2017, 123, 52–62.
  23. Hagenow, S.; Stasiak, A.; Ramsay, R. R.; Stark, H. Ciproxifan, a Histamine H3 Receptor Antagonist, Reversibly Inhibits Monoamine Oxidase A and B. Scientific Reports 2017, 7.
  24. Frank, A.; Abu-Lafi, S.; Adawi, A.; Schwed, J. S.; Stark, H.; Rayan, A. From Medicinal Plant Extracts to Defined Chemical Compounds Targeting the Histamine H4 Receptor: Curcuma Longa in the Treatment of Inflammation. Inflammation Research 2017, 66, 923–929.
  25. Bautista-Aguilera, Ó. M.; Hagenow, S.; Palomino-Antolin, A.; Farré-Alins, V.; Ismaili, L.; Joffrin, P.-L.; Jimeno, M. L.; Soukup, O.; Janočková, J.; Kalinowsky, L.; Proschak, E.; Iriepa, I.; Moraleda, I.; Schwed, J. S.; Romero Martínez, A.; López-Muñoz, F.; Chioua, M.; Egea, J.; Ramsay, R. R.; Marco-Contelles, J.; Stark, H. Multitarget-Directed Ligands Combining Cholinesterase and Monoamine Oxidase Inhibition with Histamine H3 R Antagonism for Neurodegenerative Diseases. Angewandte Chemie International Edition 2017, 56, 12765–12769.
  26. Ellul, C.; Shoemake, C. Design of Novel Compounds with the Potential of Dual PPARγ/α Modulation for the Management of Metabolic Syndrome. Nuclear Receptor Research 2017, 4, 1-16.
  27. Gaudio, E.; Paduano, F.; Pinton, S.; D’Agostino, S.; Rocca, R.; Costa, G.; Ngankeu, A.; Aqeilan, R. I.; Croce, C. M.; Bertoni, F.; Alcaro, S.; Trapasso, F. TCL1A Interacts with TP63 and Enhances the Survival of Raji Burkitt Lymphoma Cell Line. British Journal of Haematology 2017, 183, 509–512.
  28. Jeřábek, J.; Uliassi, E.; Guidotti, L.; Korábečný, J.; Soukup, O.; Sepsova, V.; Hrabinova, M.; Kuča, K.; Bartolini, M.; Peña-Altamira, L.E.; Petralla, S.; Monti, B.; Roberti, M.; Bolognesi, M.L. Tacrine-Resveratrol Fused Hybrids as Multi-Target-Directed Ligands against Alzheimer’s Disease. European Journal of Medicinal Chemistry 2017, 127, 250–262.
  29. Tarantelli, C.; Gaudio, E.; Arribas, AJ.; Kwee, I.; Hillmann, P.; Rinaldi, A.; Cascione, L.; Spriano, F.; Bernasconi, E.; Guidetti, F.; Carrassa, L.; Pittau, R.; Beaufils, F.; Ritschard, R.; Rageot, D.; Sele, A.; Dossena, B.; Rossi, FM.; Zucchetto, A.; Taborelli, M.; Gattei, V.; Rossi, D.; Stathis, A.; Stussi, G.; Broggini, M.; Wymann, MP.; Wicki, A.; Zucca, E.; Cmiljanovic, V.; Fabbro, D.; Bertoni, F. PQR309 Is a Novel Dual PI3K/mTOR Inhibitor with Preclinical Antitumor Activity in Lymphomas as a Single Agent and in Combination Therapy. Clinical Cancer Research 2017, 24, 120–129.
  30. Maruca, A.; Moraca, F.; Rocca, R.; Molisani, F.; Alcaro, F.; Gidaro, MC.; Alcaro, S.; Costa, G.; Ortuso, F. Chemoinformatic Database Building and in Silico Hit-Identification of Potential Multi-Targeting Bioactive Compounds Extracted from Mushroom Species. Molecules 2017, 22, 1571-.
  31. Rocca, R.; Talarico, C.; Moraca, F.; Costa, G.; Romeo, I.; Ortuso, F.; Alcaro, S.; Artese, A. Molecular Recognition of a Carboxy Pyridostatin toward G-Quadruplex Structures: Why Does It Prefer RNA? Chemical Biology & Drug Design 2017, 90, 919–925.


  1. Bahia, M. S.; Nissim, I.; Niv, M. Y. Bitterness Prediction in-Silico : A Step towards Better Drugs. International Journal of Pharmaceutics 2018, 536, 526–529.
  2. Liu, W.-Q.; Lepelletier, Y.; Montès, M.; Borriello, L.; Jarray, R.; Grépin, R.; Leforban, B.; Loukaci, A.; Benhida, R.; Hermine, O.; Dofour, S.; Pages, G.; Garbay, C.; Raynaud, F.; Hadj-Slimane, R.; Demange, L. NRPa-308, a New Neuropilin-1 Antagonist, Exerts in Vitro Anti-Angiogenic and Anti-Proliferative Effects and in Vivo Anti-Cancer Effects in a Mouse Xenograft Model. Cancer Letters 2018, 414, 88–98.
  3. Nkizinkiko, Y.; Desantis, J.; Koivunen, J.; Haikarainen, T.; Murthy, S.; Sancineto, L.; Massari, S.; Ianni, F.; Obaji, E.; Loza, M. I.; Pihlajaniemi, T.; Brea, J.; Tabarrini, O.; Leh, L. 2-Phenylquinazolinones as Dual-Activity Tankyrase-Kinase Inhibitors. Scientific Reports 2018, 8. 1-10.
  4. Guryn, R.; Staszewski, M.; Stasiak, A.; McNaught Flores, D.; Fogel, W.; Leurs, R.; Walczyński, K. Non-Imidazole Histamine H3 Ligands. Part VII. Synthesis, In Vitro and In Vivo Characterization of 5-Substituted-2-Thiazol-4-N-Propylpiperazines. Molecules 2018, 23, 326-345.
  5. Ramsay, R. R.; Popovic-Nikolic, M. R.; Nikolic, K.; Uliassi, E.; Bolognesi, M. L. A Perspective on Multi-Target Drug Discovery and Design for Complex Diseases. Clinical and Translational Medicine 2018, 7, 1-14.
  6. Panek, D.; Więckowska, A.; Pasieka, A.; Godyń, J.; Jończyk, J.; Bajda, M.; Knez, D.; Gobec, S.; Malawska, B. Design, Synthesis, and Biological Evaluation of 2-(Benzylamino-2-Hydroxyalkyl)Isoindoline-1,3-Diones Derivatives as Potential Disease-Modifying Multifunctional Anti-Alzheimer Agents. Molecules 2018, 23, 347.
  7. Panek, D.; Więckowska, A.; Jończyk, J.; Godyń, J.; Bajda, M.; Wichur, T.; Pasieka, A.; Knez, D.; Pišlar, A.; Korabecny, J.; Soukup, O.; Sepsova, V.; Sabaté, R.; Kos, J.; Gobec, S.; Malawska, B. Design, Synthesis, and Biological Evaluation of 1-Benzylamino-2-Hydroxyalkyl Derivatives as New Potential Disease-Modifying Multifunctional Anti-Alzheimer’s Agents. ACS Chemical Neuroscience 2018, 9, 1074–1094.
  8. Garcia-Sosa, A. T. Designing Ligands for Leishmania, Plasmodium, and Aspergillus N-Myristoyl Transferase with Specificity and Anti-Target-Safe Virtual Libraries. Current Computer-Aided Drug Design 2018, 14, 131–141.
  9. Ortuso F.; Bagetta, D.; Maruca, A.; Talarico, C.; Bolognesi, ML.; Haider, N.; Borges, F.; Bryant, S.; Langer, T.; Senderowitz, H.; Alcaro S. The Mu.Ta.Lig. Chemotheca: A Community-Populated Molecular Database for Multi-Target Ligands Identification and Compound-Repurposing. Frontiers in Chemistry 2018, 6, 1-6.
  10. Yosipof, A.; Guedes, R. C.; García-Sosa, A. T. Data Mining and Machine Learning Models for Predicting Drug Likeness and Their Disease or Organ Category. Frontiers in Chemistry 2018, 6.
  11. Gandini, A.; Bartolini, M.; Tedesco, D.; Martinez-Gonzalez, L.; Roca, C.; Campillo, N. E.; Zaldivar-Diez, J.; Perez, C.; Zuccheri, G.; Miti, A.; Feoli, A.; Castellano, S.; Petralla, S.; Monti, B.; Rossi, M.; Moda, F.; Legname, G.; Martinez, A.; Bolognesi, M. L. Tau-Centric Multitarget Approach for Alzheimer’s Disease: Development of First-in-Class Dual Glycogen Synthase Kinase 3β and Tau-Aggregation Inhibitors. Journal of Medicinal Chemistry 2018, 61, 7640–7656.
  12. Borges, A.; Simões, M.; Todorović, T.; Filipović, N.; García-Sosa, A. Cobalt Complex with Thiazole-Based Ligand as New Pseudomonas Aeruginosa Quorum Quencher, Biofilm Inhibitor and Virulence Attenuator. Molecules 2018, 23, 1385-1400.
  13. Reis, J.; Manzella, N.; Cagide, F.; Mialet-Perez, J.; Uriarte, E.; Parini, A.; Borges, F.; Binda, C. Tight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis. Journal of Medicinal Chemistry 2018, 61, 4203–4212.
  14. Oliveira, C.; Cagide, F.; Teixeira, J.; Amorim, R.; Sequeira, L.; Mesiti, F.; Silva, T.; Garrido, J.; Remião, F.; Vilar, S.; Uriarte, E.; Oliveira, P.J.; Borges, F. Hydroxybenzoic Acid Derivatives as Dual-Target Ligands: Mitochondriotropic Antioxidants and Cholinesterase Inhibitors. Frontiers in Chemistry 2018, 6.
  15. Fernandes, C.; Martins, C.; Fonseca, A.; Nunes, R.; Matos, M. J.; Silva, R.; Garrido, J.; Sarmento, B.; Remião, F.; Otero-Espinar, F. J.; Uriarte, E.; Borges F. PEGylated PLGA Nanoparticles As a Smart Carrier to Increase the Cellular Uptake of a Coumarin-Based Monoamine Oxidase B Inhibitor. ACS Applied Materials & Interfaces 2018, 10, 39557–39569.
  16. Reis, J.; Cagide, F.; Valencia, M.E.; Teixeira, J.; Bagetta, D.; Pérez, C.; Uriarte, E.; Oliveira, P.J.; Ortuso, F.; Alcaro, S.; Rodríguez-Franco, M.I.; Borges, F. Multi-Target-Directed Ligands for Alzheimer’s Disease: Discovery of Chromone-Based Monoamine Oxidase/Cholinesterase Inhibitors. European Journal of Medicinal Chemistry 2018, 158, 781–800.
  17. Marzag, H.; Zerhouni, M.; Tachallait, H.; Demange, L.; Robert, G.; Bougrin, K.; Auberger, P.; Benhida, R. Modular Synthesis of New C -Aryl-Nucleosides and Their Anti-CML Activity. Bioorganic & Medicinal Chemistry Letters 2018, 28, 1931–1936.
  18. Tachallait, H.; Bouyahya, A.; Talha, A.; Bakri, Y.; Dakka, N.; Demange, L.; Benhida, R.; Bougrin, K. Concise Synthesis and Antibacterial Evaluation of Novel 3-(1,4-Disubstituted-1,2,3-Triazolyl)uridine Nucleosides. Archiv der Pharmazie 2018, 351, 1800204.
  19.  Alachkar, A.; Łażewska, D.; Latacz, G.; Frank, A.; Siwek, A.; Lubelska, A.; Honkisz-Orzechowska, E.; Handzlik, J.; Stark, H.; Kieć-Kononowicz, K.; Sadek, B.; Studies on Anticonvulsant Effects of Novel Histamine H3R Antagonists in Electrically and Chemically Induced Seizures in Rats. International Journal of Molecular Sciences 2018, 19, 3386-3405.
  20. Alachkar, A.; Latacz, G.; Siwek, A.; Lubelska, A.; Honkisz, E.; Gryboś, A.; Łażewska, D.; Handzlik, J.; Stark, H.; Kieć-Kononowicz, K.; Sadek, B.; Anticonvulsant Evaluation of Novel Non-Imidazole Histamine H3R Antagonists in Different Convulsion Models in Rats. Pharmacology Biochemistry and Behavior 2018, 170, 14–24.
  21. Eissa, N.; Khan, N.; Ojha, S. K.; Łazewska, D.; Kieć-Kononowicz, K.; Sadek, B. The Histamine H3 Receptor Antagonist DL77 Ameliorates MK801-Induced Memory Deficits in Rats. Frontiers in Neuroscience 2018, 12.
  22. Eissa, N.; Jayaprakash, P.; Azimullah, S.; Ojha, S. K.; Al-Houqani, M.; Jalal, F. Y.; Łażewska, D.; Kieć-Kononowicz, K.; Sadek, B. The Histamine H3R Antagonist DL77 Attenuates Autistic Behaviors in a Prenatal Valproic Acid-Induced Mouse Model of Autism. Scientific Reports 2018, 8, 1-15.
  23. Łażewska, D.; Kaleta, M.; Hagenow, S.; Mogilski, S.; Latacz, G.; Karcz, T.; Lubelska, A.; Honkisz, E.;  Handzlik, J.; Reiner, D.; Satała, G.; Filipek, B.; Stark, H.; Kieć-Kononowicz, K.; Novel Naphthyloxy Derivatives – Potent Histamine H3 Receptor Ligands. Synthesis and Pharmacological Evaluation. Bioorganic & Medicinal Chemistry 2018, 26, 2573–2585.
  24. Schoeder, C. T.; Kaleta, M.; Mahardhika, A. B.; Olejarz-Maciej, A.; Łażewska, D.; Kieć-Kononowicz, K.; Müller, C. E. Structure-Activity Relationships of Imidazothiazinones and Analogs as Antagonists of the Cannabinoid-Activated Orphan G Protein-Coupled Receptor GPR18. European Journal of Medicinal Chemistry 2018, 155, 381–397.
  25. Łażewska, D.; Olejarz-Maciej, A.; Kaleta, M.; Bajda, M.; Siwek, A.; Karcz, T.; Doroz-Płonka, A.; Cichoń, U.; Kuder, K.; Kieć-Kononowicz, K. 4-Tert-Pentylphenoxyalkyl Derivatives – Histamine H3 Receptor Ligands and Monoamine Oxidase B Inhibitors. Bioorganic & Medicinal Chemistry Letters 2018, 28, 3596–3600.
  26. Roman, B. I.; Guedes, R. C.; Stevens, C. V.; García-Sosa, A. T. Recovering Actives in Multi-Antitarget and Target Design of Analogs of the Myosin II Inhibitor Blebbistatin. Frontiers in Chemistry 2018, 6.
  27. Elshaflu, H.; Todorović, T. R.; Nikolić, M.; Lolić, A.; Višnjevac, A.; Hagenow, S.; Padrón, J. M.; García-Sosa, A. T.; Djordjević, I. S.; Grubišić, S.; Stark, H.; Filipović, NR. Selenazolyl-Hydrazones as Novel Selective MAO Inhibitors With Antiproliferative and Antioxidant Activities: Experimental and In-Silico Studies. Frontiers in Chemistry 2018, 6, 1-18.
  28. Koch, P.; Brunschweiger, A.; Namasivayam, V.; Ullrich, S.; Maruca, A.; Lazzaretto, B.; Küppers, P.; Hinz, S.; Hockemeyer, J.; Wiese, M.; Heer, J.; Alcaro, S.; Kiec-Kononowicz, K.; Müller. CE. Probing Substituents in the 1- and 3-Position: Tetrahydropyrazino-Annelated Water-Soluble Xanthine Derivatives as Multi-Target Drugs With Potent Adenosine Receptor Antagonistic Activity. Frontiers in Chemistry 2018, 6, 1-28.
  29. Carradori, S.; Ortuso, F.; Petzer, A.; Bagetta, D.; De Monte, C.; Secci, D.; De Vita, D.; Guglielmi, P.; Zengin, G.; Aktumsek, A.; Alcaro, S.; Petzer, J. P. Design, Synthesis and Biochemical Evaluation of Novel Multi-Target Inhibitors as Potential Anti-Parkinson Agents. European Journal of Medicinal Chemistry 2018, 143, 1543–1552.


  1. Uliassi, E.; Peña-Altamira, LE.; Morales, AV.; Massenzio, F.; Petralla, S.; Rossi, M.; Roberti, M.; Martinez Gonzalez, L.; Martinez, A.; Monti, B.; Bolognesi, ML. A Focused Library of Psychotropic Analogues with Neuroprotective and Neuroregenerative Potential. ACS Chemical Neuroscience 2019, 10, 279–294.
  2. Alcaro, S.; Bolognesi, M. L.; García-Sosa, A. T.; Rapposelli, S. Editorial: Multi-Target-Directed Ligands (MTDL) as Challenging Research Tools in Drug Discovery: From Design to Pharmacological Evaluation. Frontiers in Chemistry 2019, 7, 1-2.
  3. Puszko, A. K.; Sosnowski, P.; Tymecka, D.; Raynaud, F.; Hermine, O.; Lepelletier, Y.; Misicka, A. Neuropilin-1 Peptide-like Ligands with Proline Mimetics, Tested Using the Improved Chemiluminescence Affinity Detection Method. MedChemComm 2019, 10, 332–340.
  4. Benfeito, S.; Oliveira, C.; Fernandes, C.; Cagide, F.; Teixeira, J.; Amorim, R.; Garrido, J.; Martins, C.; Sarmento, B.; Silva, R.; Remião, F.; Uriarte, E.; Oliveira, P.J.; Borges, F. Fine-Tuning the Neuroprotective and Blood-Brain Barrier Permeability Profile of Multi-Target Agents Designed to Prevent Progressive Mitochondrial Dysfunction. European Journal of Medicinal Chemistry 2019, 167, 525–545.
  5. Oliveira, I. M.; Borges, A.; Borges, F.; Simões, M. Repurposing Ibuprofen to Control Staphylococcus Aureus Biofilms. European Journal of Medicinal Chemistry 2019, 166, 197–205.
  6. Tachallait, H.; Safir Filho, M.; Marzag, H.; Bougrin, K.; Demange, L.; Martin, A. R.; Benhida, R. A Straightforward and Versatile FeCl3 Catalyzed Friedel–Crafts C-Glycosylation Process. Application to the Synthesis of New Functionalized C-Nucleosides. New Journal of Chemistry 2019, 43 (14), 5551–5558.
  7. Dufies, M.; Grytsai, O.; Ronco, C.; Camara, O.; Ambrosetti, D.; Hagege, A.; Parola, J.; Mateo, L.; Ayrault, M.; Giuliano, S.; Grépin, R.; Lagarde, N.; Montès, M.; Auberger, P.; Demange, L.; Pagès, G.; Benhida, R. New CXCR1/CXCR2 Inhibitors Represent an Effective Treatment for Kidney or Head and Neck Cancers Sensitive or Refractory to Reference Treatments. Theranostics 2019, 9, 5332–5346.
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