Dic 2010-current: Post-doctoral research fellow in Biocomputing Group directed by Prof. A. Tramontano, working in the project "Rational Approach to the specific inhibition of Plasmodium Falciparum and Schistosoma Mansoni".
Dic 2009-Nov 2010: Pharmacist in a private company, Rome.
Nov 2005-Nov 2008: PhD student fellow in RCMD group directed by Prof. Rino Ragno, Facoltà di Farmacia, "Sapienza" Università di Roma, working in Molecular Modeling and Drug Design.
Jul 2008-Oct 2008: PhD student fellow in the group directed by Prof. J. Buchner, Department Chemie, Technische Universitat Munchen (Germany), working in the biological test of potential Hsp90 inhibitors selected by Virtual Screening.
Jul 2005-Sep 2005: Pharmacist in a private company, Manduria (TA).
Oct 2005-Apr 2005: Pharmacist training in the Hospital Dispensary, Martina Franca (TA).
Jun 2009: PhD in Medicinal Chemistry, Sapienza Università di Roma. Thesis title: "Application of Computational Methods on different class of Drugs".
Apr 2005: Degree in Medicinal Chemistry, Università Degli Studi di Bari.
2005-2008: tutor in "Laboratorio di Preparazione estrattiva e sintetica dei farmaci", Facoltà di Farmacia, Sapienza Università di Roma.
2010: Pharmaceutical Chemistry course in Master II livello "Bioinformatica: Applicazioni Biomediche e farmaceutiche".
November 2011: Computationally Driven Drug Discovery meeting, L'Aquila
July 2008: European School of Medicinal Chemistry (ESMEC), Urbino. Poster session: "Application of computational Methods in different class of drugs"
October 2008: The Hsp90 chaperone machine, International Conference, Seeon, Bavaria, Germany. Poster session: The Virtual Screening applied on Hsp90 protein.
February 2007: Primo congresso italiano in chimica farmaceutica, Salerno.
June 2006: European Workshop in Drug Design, Certosa di Pontignano, Siena.
Jul 2005: European School of Medicinal Chemistry (ESMEC), Urbino.
- Investigations on the 1-(2-biphenyl)piperazine motif: identification of new potent and selective ligands for the serotonin(7) receptor with agonist or antagonist action in vitro or ex vivo.J Med Chem 2012; 55(14): 6375-80.
- Investigation of a potential mechanism for the inhibition of SmTGR by auranofin and its implications for Plasmodium Falciparum inhibition. Biochemical and Biophysical Research Communications, 417 (2012) 576-581. Caroli A., Simeoni S., Lepore R., Tramontano A., Via A.
- Identification of the Schistosoma Mansoni molecular target for the antimalarial drug artemether. J. Chem. Inf. Model. 2011, 51 (11), 3005-3016. Lepore R., Simeoni S., Raimondo D., Caroli A., Tramontano A., Via A.
- Combining 3-D QSAR with ligand-based and structure-based alignment procedures for in silico screening of new hepatitis C virus NS5B polymerase inhibitors. J. Chem. Inf. Model. 2010, 50 (4): 662-76.
- Small molecule interferon Inducers. Towards the comprehension of the molecular determinants through ligand-based approaches. J. Chem. Inf. Model. 2009, 49 (7): 1777-86.
- CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors. Bioorg. Med. Chem. 2008, 16 (18):8349-58.
- Class II-selective histone deacetylase inhibitors. Part 2: alignment-independent GRIND 3-D QSAR, homology and docking studies. Eur. J. Med. Chem. 2008, 43 (3): 621-32.
- Small molecule inhibitors of histone arginine methyltransferase: homology modeling, molecular docking, binding mode analysis and biological evaluations. J. Med. Chem. 2007, 50 (6): 1241-53.