De Rosa - Istituto di Chimica del Riconoscimento Molecolare

Maria Cristina De Rosa
ICRM-CNR Researcher
Phone: +39-6-30155135
email: [email protected]
WORK EXPERIENCE
From November 1997 up till now: Researcher - permanent position - at the "Istituto di Chimica
del Riconoscimento Molecolare" (ICRM), UOS of Rome, CNR.
Responsible for the module "Molecular modeling of proteins related to pathological processes"
within the CNR commitment of research: Structural NMR and molecular modeling of proteins
related to pathological processes, Department of Chemical Science and Technology of Materials,
CNR (2007-current).
From May 1994 to April 1996: Contract of collaboration to reasearch activity with Pharmacia
S.p.A. Research activity and participation to projects on plant anticancer molecules at the ICRM,
UOS of Rome.
From May 1990 to August 1993: Three-years fellowship of CNR. Research activity and
participation to projects on the relationship between protein structure and function at the ICRM,
UOS of Rome.
From April 1989 to March 1990: Fellowship of Tecnofarmaci S.C.p.A. Research activity and
participation to projects on membrane proteins at the ICRM, UOS of Rome.
EDUCATION AND TRAINING
1996: Visiting researcher at The Laboratory of Molecular Biophysics, University of Oxford – UK,
Supervisor: Dr. Peter Goodford. Principal subjects: Computational chemistry methods for
molecular recognition, ligand-protein docking.
1993-1994: Visiting researcher at the Dipartimento Farmaco-Chimico-Tecnologico, Università di
Siena-Italy, Supervisor: Prof. M. Botta. Principal subjects: Molecular modeling, molecular
mechanics and dynamics.
April 1989: Habilitation to the Profession of Chemist at the Università degli Studi di Roma La
Sapienza
October 1988: Università degli Studi di Roma La Sapienza, Degree in Chemistry (110/110 cum
laude), Supervisor Prof. Bruno Botta.
SHORT PROFILE
Maria Cristina De Rosa received her degree (cum laude) in Chemistry from the University of Rome
La Sapienza in 1988. From 1990, for three years, she was a CNR fellow at the Instute of Chemistry
of Molecular Recognition c/o Catholic University of Rome. From 1993 to 1994 she was Visiting
Researcher at the Dipartimento Farmaco-Chimico-Tecnologico, Università di Siena - Italy,
Supervisor Prof. Maurizio Botta. In 1996 she was Visiting Researcher at the Laboratory of
Molecular Biophysics, University of Oxford - UK, Supervisor Dr. Peter Goodford. Since 1997 she is
CNR Researcher at the Institute of Chemistry of Molecular Recognition (ICRM) UOS of Rome,
where she is leader of the molecular modeling unit. Her scientific activity focuses on
computational simulations aimed to study function, structure and properties of biological systems
with particular attention to proteins involved in pathological diseases and on computational
chemistry studies aimed to characterize ligand-protein and protein-protein molecular recognition
for drug design strategies. Since 2007 she is responsabile for the CNR module of research
“Molecular modeling of proteins related to pathological processes” (PM.P01.026.002).
1
RESPONSIBILITY OF RESEARCH PROJECTS
2012-2013: Principal Investigator of the project: “Molecular and structural studies of the Ser/Thr
protein kinase Stkp from human pathogen Streptococcus pneumoniae to develop new
antipneumonal drugs” in the framework of the Scientific Cooperation Agreement CNR-CNRS years
2012-2013.
2013: Principal Investigator of the project ISCRA-C of CINECA. Proposal title: Molecular and
structural studies of the Ser/Thr protein kinase from human pathogen Streptococcus
pneumoniae to develop new antipneumonal drugs.
2012: Principal Investigator of the Standard HPC grant of CASPUR 2012. “Structural studies of the
Ser/Thr protein kinase StkP”.
2011: Principal Investigator of the Standard HPC grant of CASPUR 2011. “In silico screening of new
potential TCR/CollagenII-MHCII inhibitors against rheumatoid arthritis”.
2010: Principal Investigator of the Standard HPC grant of CASPUR 2010. “A model of dystroglycan’s
domains by molecular dynamics simulations“.
2009: Principal Investigator of the Standard HPC grant of CASPUR 2009. “Molecular dynamics
investigation of the interaction between anticancer anthracyclines and NADPH-dependent cytosolic
reductases”.
2008: Principal Investigator of the DPM@CASPUR 2008. “Predicting the structural model for human
TCR- collagenII-MHC complex”.
PARTECIPATION TO RESEARCH PROJECTS
2010-2011: National MIUR-PRIN project 2010-2011. “Neurodegenerazione e Neuroprotezione: Ruolo
dell'espressione della neuroglobina indotta dagli ormoni estrogeni”. Collaboration with Prof. Paolo
Ascenzi, 3 years.
2010: Research project of National Program of Antarctic Research (PNRA) 2010/A1.08. “Ruolo
dell'Ossigeno nell'Evoluzione - Geni e proteine degli organismi marini polari (ROSE)”. Collaboration
with Dr. Ennio Cocca, 2 years.
2004: Research project of National Program of Antarctic Research (PNRA) 2004/1.03. “Evoluzione e
adattamenti molecolari nel trasporto di O2 in pesci polari: Struttura, funzione e geni dell'Hb Funzionalità dell'eritrocita - Eritropoiesi - Regolazione del trasporto del ferro - L'NO nell'omeostasi
respirazione-circolazione- Caratterizzazione citogenetica - Filogenesi molecolare" . Collaboration
with Dr. Ennio Cocca, 2 years.
2003: National MIUR-PRIN project 2003. “Sostituti del sangue”. Collaboration with Prof. Michele
Perrella, 2 years.
2002: Research project of National Program of Antarctic Research (PNRA) 2002/1.02. “Basi
fisiologiche, biochimiche e molecolari dell'adattamento evolutivo nei teleostei antartici".
Collaboration with Dr. Ennio Cocca, 2 years.
1996: National MIUR-PRIN project 1996. “Livelli di organizzazione strutturale delle proteine:
liveprotein". Collaboration with Prof. Alessandro Coda, 1 year.
Research projects (D1) funded by the Università Cattolica del S. Cuore di Roma, Faculty of Medicine
2011, 2010, 2009, 2008, 2007, 2006, 2005, 2004, 2003, 2002 Collaboration with Prof. Bruno Giardina
PATENTS
2013: International Patent PCT/IB2013/052623
De Rosa M.C., Ria F., Giardina B., Ferraccioli G., Pirolli D., Nicolò C. TCR/MHCII-Collagen interaction
inhibitors useful for the treatment of rheumatoid arthritis.
2
2012: Italian Patent RM2012A000131
De Rosa, MC, Ria, F., Giardina, B., Ferraccioli, G., Pirolli, D., Nicolò, C. Inibitori dell'interazione
TCR/MHCII-Collagene utili per il trattamento dell'artrite reumatoide.
PUBLICATIONS IN PEER-REVIEWED INTERNATIONAL JOURNALS
1.
Andersen O, De Rosa MC, Yadav P, Pirolli D, Fernandes JM, Berg PR, Jentoft S, Andrè C. The
conserved Phe GH5 of importance for hemoglobin intersubunit contact is mutated in gadoid
fish. BMC Evol. Biol. 14:54 (2014).
2. Tellone E., De Rosa M.C., Pirolli D., Russo A., Giardina B., Galtieri A., Ficarra S.
Molecular interactions of hemoglobin with resveratrol: potential protective antioxidant role and
metabolic adaptations of the erythrocyte. Biol. Chem. 395:347-54 (2014).
3. Cabras, T., Iavarone, F., Pirolli, D., De Rosa, M.C., Vitali, A., Faa, G., Cordaro, M.,
Messana, I., Ekström, J., Castagnola, M.
Top-down HPLC-ESI-MS characterization of rat gliadoralin A, a new member of the family of
rat submandibular gland glutamine-rich proteins and potential substrate of transglutaminase.
J. Sep. Sci. 36:2848-61 (2013).
4. Pirolli, D., Giardina, B., Mordente, A., Ficarra, S., De Rosa, M.C.
Understanding the binding of daunorubicin and doxorubicin to NADPH-dependent cytosolic
reductases by computational methods. Eur. J. Med. Chem. 56:145-54 (2012).
5. Tellone, E., Ficarra, S., Russo, A., Bellocco, E., Barreca, D., Laganà, G., Leuzzi, U., Pirolli, D., De
Rosa M.C., Giardina, B., Galtieri A.
Caffeine inhibits erythrocyte membrane derangement by antioxidant activity and by blocking
caspase 3 activation. Biochimie. 94(2):393-402 (2012).
6. Waite, A., De Rosa, M.C., Brancaccio, A, Blake, D.J.
A Gain-of-Glycosylation Mutation Associated with Myoclonus-Dystonia Syndrome Affects
Trafficking and Processing of Mouse ε-Sarcoglycan in the Late Secretory Pathway. Hum
Mutat. 32:1246-58 (2011).
7. De Rosa, M.C., Pirolli, D., Bozzi, M., Sciandra, F., Giardina, B., Brancaccio, A.
A second Ig-like domain identified in dystroglycan by molecular modelling and dynamics. Journal
of Molecular Graphics and Modelling. 29(8):1015-24. (2011).
8. Andersen, O., De Rosa, M.C., Pirolli, D., Tooming-Klunderud, A., Petersen, P.E., André, C.
Polymorphism, selection and tandem duplication of transferrin genes in Atlantic cod (Gadus
morhua) - Conserved synteny between fish monolobal and tetrapod bilobal transferrin loci. BMC
Genet. 12:51 (2011).
9. Pirolli, D., Carelli Alinovi, C., Capoluongo, E., Satta, M.A., Concolino, P., Giardina, B., De Rosa,
M.C.
Insight into a Novel p53 Single Point Mutation (G389E) by Molecular Dynamics Simulations.
International Journal of Molecular Science. 12(1):128-40 (2010).
10. De Rosa, M.C., Giardina, B., Bianchi, C., Carelli Alinovi, C., Pirolli, D., Ferraccioli, G. De
Santis, M., Di Sante, G., Ria F.
Modeling the Ternary Complex TCR-Vβ/CollagenII(261-273)/HLA-DR4 Associated with
Rheumatoid Arthritis. PLoS ONE 5(7): e11550. doi:10.1371/journal.pone.0011550
(2010).
11. Colafranceschi, M., Giuliani, A., Andersen, Ø., Brix, O., De Rosa, M.C., Giardina, B.,
Colosimo, A.
Hydrophobicity patterns and biological adaptation: an exemplary case from fish
haemoglobins. OMICS- A Journal of Integrative Biology 14(3):275-81 (2010).
12. Manconi, B., De Rosa, M.C., Cappabianca, M.P,, Olianas, A., Alinovi, C.C., Mastropietro, F.,
3
13.
14.
15.
16.
17.
18.
19.
20.
21.
22.
23.
24.
Ponzini, D., Amato, A., Pellegrini, M.
A new beta-chain haemoglobin variant with increased oxygen affinity: Hb Roma [beta115(g17)Ala->Val]. Biochimica et Biophysica Acta (BBA) - General Subjects. 1800, 327-335 (2010).
Vitali, A., Carelli Alinovi, C., De Rosa, M.C., Petruzzelli, R.
Beta2-strand of salivary S cystatins: a "chemeleon sequence". Biochemical and Biophysical
Research Communications. 387, 47-51, (2009).
Andersen, O., Wetten, O.F., De Rosa, M.C., Andre, C., Carelli Alinovi, C., Colafranceschi, M.,
Brix, O., Colosimo, A.
Haemoglobin polymorphisms affect the oxygen-binding properties in Atlantic cod populations.
Proceedings of the Royal Society B-Biological Sciences 276, 833-41, (2009).
De Rosa, M.C., Carelli Alinovi, C., Galtieri, A., Russo, A. and Giardina B.
Allosteric properties of hemoglobin and the plasma membrane of the erythrocyte: new
insights in gas transport and metabolic modulation. IUBMB Life 60, 87-93, (2008).
De Rosa, M.C., Carelli Alinovi, C., Schininà, M.E., Clementi M.E., Amato, A.,
Cappabianca M.P., Pezzotti, M., and Giardina, B.
Hb Santa Clara (beta97His → Asn), a human haemoglobin variant: functional characterization
and structure modelling. Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics 1774,
1299- 306, (2007).
De Rosa, M.C., Carelli Alinovi, C., Galtieri, A., Scatena, R., Giardina, B.
The plasma membrane of erythrocytes plays a fundamental role in the transport of oxygen,
carbon dioxide and nitric oxide and in the maintenance of the reduced state of the heme iron.
Gene 398, 162-71, (2007).
De Rosa, M.C., Carelli Alinovi, C., Russo A., Giardina, B.
Binding modes of L35 to alpha- and beta-semihemoglobins: structural insights into the
inequivalence of alpha- and beta-subunits of hemoglobin. Biochemical and Biophysical
Research Communications. 354, 720-726, (2007).
Verde, C., De Rosa, M.C., Giordano, D., Mosca, D., de Pascale, D., Raiola, L., Cocca, E.,
Carratore, V., Giardina, B. and di Prisco, G.
Structure, function and molecular adaptations of haemoglobins of the polar cartilaginous fish
Bathyraja eatonii and Raja hyperborea. Biochemical Journal 389, 297-306, (2005).
Giardina, B., Mosca, D. and De Rosa, M.C.
The Bohr effect of haemoglobin in vertebrates: an example of molecular adaptation to different
physiological requirements. Acta Physiologica Scandinavica 182, 229-44, (2004). Acta Physiologica
Scandinavica ora Acta Physiologica
Verde, C., Howes, B.D., De Rosa, M.C., Raiola, L. Smulevich, G., Williams, R.,
Giardina, B., Parisi, E. and di Prisco, G.
Structure and function of the Gondwanian hemoglobin of Pseudaphritis urvillii, a primitive
notothenioid fish of temperate latitudes. Protein Science 13, 2766-81, (2004).
Giardina, E., Capon, F., De Rosa, M.C., Mango, R., Zambruno, G., Orecchia, A., Chimenti,
S. Giardina, B. and Novelli, G.
Characterization of the Loricrin (LOR) Gene as a positional candidate for the PSORS4 psoriasis
susceptibility locus. Annals of Human Genetics 68, 639-45, (2004).
De Rosa, M.C., Castagnola, M., Bertonati, C., Galtieri, A., Giardina, B.
From the Arctic to fetal life: physiological importance and structural basis of an “additional”
chloride-binding site in haemoglobin. Biochemical Journal 380, 889-896, (2004).
Corda, M., Tamburrini, M., De Rosa M.C., Sanna, M.T., Fais, A., Olianas, A., Pellegrini, M.,
Giardina, B. and di Prisco, G.
Whale (Balaenoptera physalus) haemoglobin: primary structure, functional characterisation
4
25.
26.
27.
28.
29.
30.
31.
32.
33.
34.
35.
36.
and computer modelling studies. Comparative Biochemistry and Physiology B-Biochemistry &
Molecular Biology 134, 53-62, (2003).
De Rosa, M. C., Bertonati, C., Giardina, B., Di Stasio, E. and Brancaccio, A.
The effect of anions on azide binding to myoglobin: an unusual functional modulation.
Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology 1594,
341-352, (2002). Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular
Enzymology ora Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics.
Clementi, M. E., De Rosa, M.C., Bertonati, C., Capo, C., Cataldi, E., Petruzzelli, R., and
Giardina, B.
Functional and structural properties of the hemoglobin components from Italian sturgeon
(Acipenser Naccarii). Fish Physiology and Biochemistry 24, 191-200, (2001).
Clementi, M.E., De Rosa, M. C., Bertonati, C., Capo, C., Cataldi, E., Petruzzelli, R. and
Giardina, B.
The hemoglobins of the “Fossil fish” Acipenser Naccarii: Functional properties and their structural
basis. Hemoglobin 25, 447-51, (2001).
Pellegrini, M., Corda, M., Manca, L., Olianas, A., Sanna, M.T., Fais, A., De Rosa, M.C.,
Bertonati, C., Masala, B. and Giardina, B.
Functional and computer modelling studies of hemoglobin from horse. The haemoglobin
system of the Sardinian wild dwarf horse. European Journal of Biochemistry 268, 33133320, (2001). European Journal of Biochemistry ora FEBS Journal
Corda M., De Rosa, M.C., Pellegrini, M.G., Sanna, M.T., Olianas, A., Fais, A., Manca, L., Masala,
B., Zappacosta, B., Ficarra, S., Castagnola, M. and Giardina, B.
Adult and fetal haemoglobin J-Sardegna [alpha50(CE8)His-->Asp]: functional and molecular
modelling studies. Biochemical Journal 346, 193-9, (2000).
Manca, L., Cherchi L, De Rosa M.C., Giardina B. and Masala, B.
A new, electrophoretically silent, fetal hemoglobin variant: Hb F-Calabria [gamma118(GH1)Phe
→Leu]. Hemoglobin, 24, 37-44, (2000).
De Rosa, M.C., Sanna, M.T., Messana, I., Castagnola, M., Galtieri, A., Tellone, E.,
Scatena, R., Botta, B., Botta, M. and Giardina, B.
Glycated human hemoglobin (HbA1c) : Functional characteristics and molecular modeling studies.
Biophysical Chemistry, 72, 323-335, (1998).
De Rosa, M.C. and Berglund, A.
A new method for predicting the alignment of flexible molecules and orienting them in a
receptor cleft of known structure. Journal of Medicinal Chemistry 41, 691-698, (1998).
Berglund, A., De Rosa, M.C. and Wold, S.
Alignment of flexible molecules at their receptor site using 3D descriptors and Hi-PCA. Journal of
Computer-Aided Molecular Design 11, 601-612, (1997).
Botta, B., Delle Monache, G., De Rosa, M.C., Seri, C., Benedetti, E., Iacovino, R., Botta, M.,
Corelli, F., Masignani, V., Tafi, A., Gacs-Baitz, E., Santini, A. and Misiti, D.
Synthesis of C-Alkylcalix[4]arenes. 5. Design, synthesis, computational studies, and
homodimerization of polymethylene-bridged resorc[4]arenes. Journal of Organic Chemistry 62,
1788-1794, (1997).
Botta, B., Delle Monache, G., De Rosa, M.C., Scurria, R., Vitali, A., Vinciguerra, V.,
Menendez, P. and Misiti, D.
Studies in cell suspension cultures of Cassia didymobotrya. Part VI. The biotransformation of
chalcones to aurones and auronols. Heterocycles, 43, 1415-1421, (1996).
Botta, M., De Rosa, M.C., Di Fabio, R., Mozzetti, C., Santini, A. and Corelli, F. Experimental and
theoretical investigations on the cephalosporin ∆3-∆2 isomerization. Electronic Journal of
5
Theoretical Chemistry, 1, 1-8, (1996).
37. Botta, B., Delle Monache, G., De Rosa, M.C., Carbonetti, A., Baitz, E.G., Botta, M, Corelli,
and D. Misiti.
Synthesis of C-alkyl calix[4]arenes. 3. Acid-catalysed rearrangement of 2,6
dimethoxycinnamate prior to tetramerization to calix[4]arenes. Journal of Organic
Chemistry 60, 3657-3662, (1995).
38. Delle Monache, G., De Rosa, M.C., Scurria, R., Vitali, A., Cuteri, A., Monacelli, B., Pasqua,
G. and Botta, B.
Comparison between metabolite productions in cell culture and in whole plant of Maclura
Pomifera. Phytochemistry, 39, 575-580, (1995).
39. Benedetti, E., Pedone, C., Iacovino, R., Botta, B., Delle Monache, G., De Rosa, M.C., Botta,
M., Corelli, F., Tafi, A. and Santini, A.
Structure and conformation of stereoisomeric C-isopropoxycarbonylmethylcalix[4]resorcinarenes.
Journal of Chemical Research-S, 476-477, (1994).
40. Botta, B., Di Giovanni, M.C., Delle Monache, G., De Rosa, M.C., Baitz, E.G., Botta, M., Corelli,
F., Tafi, A., Santini, A., Benedetti, E., Pedone, C. and D. Misiti.
A novel route to calix[4]arenes. 2. Solution and solid state structural analyses and molecular
modeling studies. Journal of Organic Chemistry 59, 1532-1541, (1994).
41. Delle Monache, G., De Rosa, M.C., Scurria, R., Monacelli, B., Pasqua, G., Dall’Olio, G. and
Botta, B.
Metabolites from in vitro cultures of Cassia didymobotrya. Phytochemistry, 30, 1849-1854,
(1991).
42. Botta, B., Vinciguerra, V., De Rosa, M.C., Scurria, R., Iacomacci, P., Ferrari, F., Delle
Monache, G. and Misiti, D.
Studies in cell suspension cultures of Cassia didymobotrya. Part II. The biotransformation of
chalcones to flavanones. Heterocycles, 29, 2167-2174 (1989).
43. Botta, B., Vinciguerra, V., De Rosa, M.C., Scurria, R., Carbonetti, A., Ferrari, F., Delle
Monache, G. and Misiti, D.
Studies in cell suspension cultures of Cassia didymobotrya. Part III. The biotransformation of
chalcones to flavones and biflavanones. Heterocycles, 29, 2175-2183, (1989).
REVIEWER FOR THE JOURNALS
-Nature
-Journal of Molecular Graphics and Modeling
-Plos Computational Biology
-Combinatorial Chemistry & High Throughput Screening
-International Journal of Molecular Sciences
-Molecules
-Food and chemical toxicology
REVIEWER FOR THE FELLOWSHIP PROGRAMS
-Austrian Science Fund
- Lise Meitner-Program Grants
-Piscopia-Marie Curie Fellowship Programme
EDITORIAL ACTIVITY
Member of the Editorial Board of “BioMed Research International” and “ISRN Structural Biology”.
6
TEACHING AND EDUCATIONAL ACTIVITY
Teaching for Università Cattolica del S. Cuore (UCSC), Faculty of Medicine:
2012/2013 Tecniche di modelling molecolare, Master Universitario di II Livello in Diagnostica
molecolare in medicina personalizzata, UCSC.
2010/2011, 2008/09, 2006/07 Tecniche di modelling molecolare, Master Universitario di I Livello in
Biologia Molecolare Clinica, UCSC.
2011/2012, 2012-2013, 2013-2014 Propedeutica Biochimica, Corso di Laurea in Biotecnologie
Sanitarie, UCSC.
2011/2012, 2012-2013, 2013-2014 Propedeutica Biochimica, Corso di Laurea in Tecniche di
Laboratorio Biomedico, UCSC.
2013/2014, 2012/13 Biochimica computazionale, Corso di Laurea Triennale in Scienze e Tecnologie
Cosmetologiche, UCSC.
2012/2013 Chimica generale 1 (ed inorganica), Corso di Laurea Triennale in Scienze e Tecnologie
Cosmetologiche, UCSC.
2006/2007, 2007/2008, 2008/2009, 2009/2010, 2010/2011 Chimica Organica, Corso di Laurea in
Scienze e Tecnologie Cosmetologiche, UCSC.
2002/2003, 2003/2004, 2004/2005, 2005/2006, 2006/2007, 2007/08: Biochimica, Corso di Laurea
in Fisioterapia, UCSC.
2001/2002 Biochimica, Corso di Laurea in Tecniche della Riabilitazione Psichiatrica, UCSC.
1999/2000 Chimica e propedeutica biochimica, Scuola Diretta a Fini Speciali per Tecnico di Igiene
Ambientale e del Lavoro, UCSC.
2002/2003, 2003/2004, 2004/2005, 2005/06 Chimica Organica, Scuola Diretta a Fini Speciali per
Tecnici Cosmetici, UCSC
1998/1999, 1999/2000, 2000/2001, 2001/2002 Chimica, biochimica e biochimica clinica, Scuola
Diretta a Fini Speciali per Tecnici Cosmetici, UCSC.
Supervisor of master and graduate students of the Università degli Studi di Roma “La Sapienza” and
of the “Università Cattolica del S. Cuore", Rome.
7

Download Report