The NeaCADD group is a young research group coordinated by Prof. Caterina Fattorusso. The group is active in the field of computational techniques applied to drug design and can actually count on one associate professor, one permanent researcher, two Post-Doc, and three post-graduate students. In the last five years the group produced 30 articles on peer reviewed international journals and 6 patents. Prof. Caterina Fattorusso is a peer reviewer (2009-2012) for the European Science Foundation (ESF -
NeaCADD expertise is in the field of drugs mechanism of action at the molecular level, and is particularly focused on:

  1. how drug can affect protein functions interfering with protein conformation and/or protein-protein interaction;
  2. the role of metallobiology in diseases and drug mechanism of action;
  3. natural compounds as leads for drug-design.
Collaborations: NeaMarine group, Sigma-Tau (Pomezia, Italy); Policlinico Gemelli, University of Roma (Prof. Scambia), University of Siena (Prof. Taddei), University of Salerno (Dr. Rodriquez and Dr. Ramunno), University of Bologna (Prof. Trombini), University of Milano (Prof. Taramelli); Scuola Normale Superiore di Pisa (Prof. Barone); London School of Hygiene and Tropical Medicine (Dr. Croft and Dr. Yardley), Danbury Hospital,CT, USA (Dr. Ferlini).

NeaCADD is affiliated to the Italian Malaria Network.




Marco Persico, Roberto Fattorusso, Orazio Taglialatela-Scafati, Giuseppina Chianese, Ivan De Paola, Laura Zaccaro, Francesca Rondinelli, Marco Lombardo, Arianna Quintavalla, Claudio Trombini, Ernesto Fattorusso, Caterina Fattorusso, Biancamaria Farina, Marco Persico, "The interaction of heme with plakortin and a synthetic endoperoxide analogue: new insights into the heme-activated antimalarial mechanism", Scientific Reports, 7, e45485, (2017), 10.1038/srep45485



Oleksii Skorokhod, Denise Davalos-Schafler, Valentina Gallo, Elena Valente, Daniela Ulliers, Agata Notarpietro, Attila Mandi, Francesco Novelli, Marco Persico, Orazio Taglialatela-Scafati, Paolo Arese, Evelin Schwarzer, "Oxidative stress-mediated antimalarial activity of plakortin, a natural endoperoxide from the tropical sponge Plakortis simplex", Free Radical Biology and Medicine, 89, 624-637, (2015), 10.1016/freeradbiomed.2015.10.399

Dilip Sonawane, Marco Persico, Yolanda Corbett, Antonio Di Dato, Caterina Fattorusso, Orazio Taglialatela-Scafati, Donatella Taramelli, Claudio Trombini, D. D. Dhavale, Arianna Quintavalla, Marco Lombardo, Giuseppina Chianese, "New antimalarial 3-methoxy-1,2-dioxanes: optimization of cellular pharmacokinetic and pharmacodynamic properties by incorporation of amino and N-heterocyclic moieties at C4.", RSC Advances, 5, 72995-73010, (2015), 10.1039/c5ra10785g

Marco Persico, Lella Petrella, Nausicaa Orteca, Antonio Di Dato, Marisa Mariani, Mirko Andreoli, Marta De Donato, Giovanni Scambia, Ettore Novellino, Cristiano Ferlini, Caterina Fattorusso, "GTP is an allosteric modulator of the interaction between the guanylate-binding protein 1 and the prosurvival kinase PIM1", Eur J Med Chem, 2015, 91, 132-144, (2015), 10.1016/j.ejmech.2014.07.093



Mirko Andreoli, Marco Persico, Ajay Kumar, Nausicaa Orteca, Vineet Kumar, Antonella Pepe, Sakkarapalayam Mahalingam, Antonio E. Alegria, Lella Petrella, Laima Sevciunaite, Alessia Camperchioli, Marisa Mariani, Antonio Di Dato, Ettore Novellino, Giovanni Scambia, Sanjay V. Malhotra, Cristiano Ferlini, Caterina Fattorusso, "Identification of the first inhibitor of the GBP1:PIM1 interaction. Implications for the development of a new class of anticancer agents against paclitaxel resistant cancer cells", J Med Chem. 2014, 57, 7916-7932, (2014), 10.1021/jm5009902

Giuseppina Chianese, Marco Persico, Fan Yang, Hou-Wen Lin, N. Basilico, Yue-Wei Guo, S. Parapini, Donatella Taramelli, Orazio Taglialatela-Scafati, Caterina Fattorusso, "Endoperoxide polyketides from a Chinese Plakortis simplex: further evidence of the impact of stereochemistry on antimalarial activity of simple 1,2-dioxanes.", Bioorg. Med. Chem., 22, 4572-4580, (2014), 10.1016/j.bmc.2014.07.034



Marco Persico, Arianna Quintavalla, Francesca Rondinelli, Claudio Trombini, Marco Lombardo, Caterina Fattorusso, Valeria Azzarito, Donatella Taramelli, S. Parapini, Yolanda Corbett, Giuseppina Chianese, Ernesto Fattorusso, Orazio Taglialatela-Scafati, "A New Class of Antimalarial Dioxanes Obtained through a Simple Two-Step Synthetic Approach: Rational Design and Structure-Activity Relationship Studies.", J. Med. Chem., 54, 8526-8540, (2011),

Caterina Fattorusso, Marco Persico, N. Basilico, Donatella Taramelli, Ernesto Fattorusso, Orazio Taglialatela-Scafati, "Antimalarials based on the dioxane scaffold of plakortin. A concise synthesis and SAR studies.", Bioorg.Med.Chem., 19, 312-320., (2011),



Caterina Fattorusso, Marco Persico, B. Calcinai, C. Cerrano, S. Parapini, Donatella Taramelli, E. Novellino, Adriana Romano, Fernando Scala, Ernesto Fattorusso, Orazio Taglialatela-Scafati, ""Manadoperoxides A-D from the Indonesian Sponge Plakortis cfr. simplex. "", J. Nat. Prod. , 73, 1138-1145, (2010), 10.1021/np100196b

Orazio Taglialatela-Scafati, Ernesto Fattorusso, Adriana Romano, Fernando Scala, Vincenzo Barone, Paola Cimino, Emiliano Stendardo, Bruno Catalanotti, Marco Persico, Caterina Fattorusso, "Insights into the mechanism of the antimalarial action of plakortins, simple 1,2-dioxane antimalarials", Org. Biomol. Chem, 8, 846-856, (2010),



Elena Morelli, Caterina Fattorusso, Bruno Catalanotti, Marco Persico, et al., "Specific targeting of peripheral serotonin 5-HT(3) receptors. Synthesis, biological investigation, and structure-activity relationships.", J Med Chem.,  52(11), 3548-62, (2009), DOI: 10.1021/jm900018b



Marco Persico, Bruno Catalanotti, Caterina Fattorusso, et al., "Exploiting protein fluctuations at the active-site gorge of human cholinesterases: further optimization of the design strategy to develop extremely potent inhibitors.", J Med Chem. , 51(11), 3154-70., (2008), 10.1021/jm701253t



Caterina Fattorusso, Giuseppe Campiani, Bruno Catalanotti, Marco Persico, N. Basilico, S. Parapini, Donatella Taramelli, Claudio Campagnuolo, Ernesto Fattorusso, Adriana Romano, Orazio Taglialatela-Scafati, "Endoperoxide Derivatives from Marine Organisms: 1,2-Dioxanes of the Plakortin Family as Novel Antimalarial Agents.", J. Med. Chem., 49, 7088-7094, (2006),