Publications

2021¶

Heat-stability study of various insulin types in tropical temperature conditions: New insights towards improving diabetes care
Kaufmann, B. Boulle, P. Berthou, F. Fournier, M. Beran, D. Ciglenecki, I. Townsend, M. Schmidt, G. Shah, M. Cristofani, S. Cavailler, P. Foti, M. Scapozza, L.
PLoS One 2021 DOI: 10.1371/journal.pone.0245372

Using protease inhibitors to improve protein stability in the presence of skin: A case study on the stability of insulin like growth factor 1
Dubey, S. Perozzo, R. Scapozza, L. Kalia, Y. N.
Eur J Pharm Biopharm 2021 DOI: 10.1016/j.ejpb.2020.12.009

2020¶

How 'Protein-Docking' Translates into the New Emerging Field of Docking Small Molecules to Nucleic Acids?
Tessaro, F. Scapozza, L.
Molecules 2020 DOI: 10.3390/molecules25122749

Cooperative binding of the tandem WW domains of PLEKHA7 to PDZD11 promotes conformation-dependent interaction with tetraspanin 33
Rouaud, F. Tessaro, F. Aimaretti, L. Scapozza, L. Citi, S.
J Biol Chem 2020 DOI: 10.1074/jbc.RA120.012987

Identification of Anti-Mycobacterium and Anti-Legionella Compounds With Potential Distinctive Structural Scaffolds From an HD-PBL Using Phenotypic Screens in Amoebae Host Models
Hanna, N. Kicka, S. Chiriano, G. Harrison, C. Sakouhi, H. O. Trofimov, V. Kranjc, A. Nitschke, J. Pagni, M. Cosson, P. Hilbi, H. Scapozza, L. Soldati, T.
Front Microbiol 2020 DOI: 10.3389/fmicb.2020.00266

Exploiting the gut microbiota's fermentation capabilities towards disease prevention
Gurry, T. Scapozza, L.
J Pharm Biomed Anal 2020 DOI: 10.1016/j.jpba.2020.113469

Specific protein-protein interactions limit the cutaneous iontophoretic transport of interferon beta-1b and a poly-Arg interferon beta-1b analogue
Dubey, S. Perozzo, R. Scapozza, L. Kalia, Y. N.
Int J Pharm 2020 DOI: 10.1016/j.ijpharm.2020.119913

Exploring the Ubiquitin-Proteasome System (UPS) through PROTAC Technology
Cecchini, C. Tardy, S. Ceserani, V. Theurillat, J. P. Scapozza, L.
Chimia (Aarau) 2020 DOI: 10.2533/chimia.2020.274

Platelet Transforming Growth Factor-beta1 Induces Liver Sinusoidal Endothelial Cells to Secrete Interleukin-6
Balaphas, A. Meyer, J. Perozzo, R. Zeisser-Labouebe, M. Berndt, S. Turzi, A. Fontana, P. Scapozza, L. Gonelle-Gispert, C. Buhler, L. H.
Cells 2020 DOI: 10.3390/cells9051311

2019¶

Drug repurposing in oncology: Compounds, pathways, phenotypes and computational approaches for colorectal cancer
Nowak-Sliwinska, P. Scapozza, L. Ruiz i Altaba, A.
Biochim Biophys Acta Rev Cancer 2019 DOI: 10.1016/j.bbcan.2019.04.005

DDR1 role in fibrosis and its pharmacological targeting
Moll, S. Desmouliere, A. Moeller, M. J. Pache, J. C. Badi, L. Arcadu, F. Richter, H. Satz, A. Uhles, S. Cavalli, A. Drawnel, F. Scapozza, L. Prunotto, M.
Biochim Biophys Acta Mol Cell Res 2019 DOI: 10.1016/j.bbamcr.2019.04.004

Structure-based drug design and in vitro testing reveal new inhibitors of enoyl-acyl carrier protein reductases
Ghattas, M. A. Eissa, N. A. Tessaro, F. Perozzo, R. Scapozza, L. Obaid, D. Atatreh, N.
Chem Biol Drug Des 2019 DOI: 10.1111/cbdd.13536

OCRL deficiency impairs endolysosomal function in a humanized mouse model for Lowe syndrome and Dent disease
Festa, B. P. Berquez, M. Gassama, A. Amrein, I. Ismail, H. M. Samardzija, M. Staiano, L. Luciani, A. Grimm, C. Nussbaum, R. L. De Matteis, M. A. Dorchies, O. M. Scapozza, L. Wolfer, D. P. Devuyst, O.
Hum Mol Genet 2019 DOI: 10.1093/hmg/ddy449

2018¶

Autoregulation of Class II Alpha PI3K Activity by Its Lipid-Binding PX-C2 Domain Module
Wang, H. Lo, W. T. Vujicic Zagar, A. Gulluni, F. Lehmann, M. Scapozza, L. Haucke, V. Vadas, O.
Mol Cell 2018 DOI: 10.1016/j.molcel.2018.06.042

Antimycobacterial drug discovery using Mycobacteria-infected amoebae identifies anti-infectives and new molecular targets
Trofimov, V. Kicka, S. Mucaria, S. Hanna, N. Ramon-Olayo, F. Del Peral, L. V. Lelievre, J. Ballell, L. Scapozza, L. Besra, G. S. Cox, J. A. G. Soldati, T.
Sci Rep 2018 DOI: 10.1038/s41598-018-22228-6

Modeling and resistant alleles explain the selectivity of antimalarial compound 49c towards apicomplexan aspartyl proteases
Mukherjee, B. Tessaro, F. Vahokoski, J. Kursula, I. Marq, J. B. Scapozza, L. Soldati-Favre, D.
EMBO J 2018 DOI: 10.15252/embj.201798047

Tamoxifen prolongs survival and alleviates symptoms in mice with fatal X-linked myotubular myopathy
Gayi, E. Neff, L. A. Massana Munoz, X. Ismail, H. M. Sierra, M. Mercier, T. Decosterd, L. A. Laporte, J. Cowling, B. S. Dorchies, O. M. Scapozza, L.
Nat Commun 2018 DOI: 10.1038/s41467-018-07058-4

Repurposing the Selective Oestrogen Receptor Modulator Tamoxifen for the Treatment of Duchenne Muscular Dystrophy
Gayi, E. Neff, L. A. Ismail, H. M. Ruegg, U. T. Scapozza, L. Dorchies, O. M.
Chimia (Aarau) 2018 DOI: 10.2533/chimia.2018.238

Targeting RNA structure in SMN2 reverses spinal muscular atrophy molecular phenotypes
Garcia-Lopez, A. Tessaro, F. Jonker, H. R. A. Wacker, A. Richter, C. Comte, A. Berntenis, N. Schmucki, R. Hatje, K. Petermann, O. Chiriano, G. Perozzo, R. Sciarra, D. Konieczny, P. Faustino, I. Fournet, G. Orozco, M. Artero, R. Metzger, F. Ebeling, M. Goekjian, P. Joseph, B. Schwalbe, H. Scapozza, L.
Nat Commun 2018 DOI: 10.1038/s41467-018-04110-1

2017¶

Design and purification of active truncated phosphoinositide 3-kinase gamma protein constructs for structural studies
Vujicic Zagar, A. Scapozza, L. Vadas, O.
Protein Expr Purif 2017 DOI: 10.1016/j.pep.2017.04.011

Inhibitors of Mycobacterium marinum virulence identified in a Dictyostelium discoideum host model
Ouertatani-Sakouhi, H. Kicka, S. Chiriano, G. Harrison, C. F. Hilbi, H. Scapozza, L. Soldati, T. Cosson, P.
PLoS One 2017 DOI: 10.1371/journal.pone.0181121

RET kinase inhibitors: a review of recent patents (2012-2015)
Mologni, L. Gambacorti-Passerini, C. Goekjian, P. Scapozza, L.
Expert Opin Ther Pat 2017 DOI: 10.1080/13543776.2017.1238073

A Coincidence Detection Mechanism Controls PX-BAR Domain-Mediated Endocytic Membrane Remodeling via an Allosteric Structural Switch
Lo, W. T. Vujicic Zagar, A. Gerth, F. Lehmann, M. Puchkov, D. Krylova, O. Freund, C. Scapozza, L. Vadas, O. Haucke, V.
Dev Cell 2017 DOI: 10.1016/j.devcel.2017.10.019

2016¶

Mammalian RAD52 Functions in Break-Induced Replication Repair of Collapsed DNA Replication Forks
Sotiriou, S. K. Kamileri, I. Lugli, N. Evangelou, K. Da-Re, C. Huber, F. Padayachy, L. Tardy, S. Nicati, N. L. Barriot, S. Ochs, F. Lukas, C. Lukas, J. Gorgoulis, V. G. Scapozza, L. Halazonetis, T. D.
Mol Cell 2016 DOI: 10.1016/j.molcel.2016.10.038

In Silico Driven Design and Synthesis of Rhodanine Derivatives as Novel Antibacterials Targeting the Enoyl Reductase InhA
Slepikas, L. Chiriano, G. Perozzo, R. Tardy, S. Kranjc, A. Patthey-Vuadens, O. Ouertatani-Sakouhi, H. Kicka, S. Harrison, C. F. Scrignari, T. Perron, K. Hilbi, H. Soldati, T. Cosson, P. Tarasevicius, E. Scapozza, L.
J Med Chem 2016 DOI: 10.1021/acs.jmedchem.5b01620

A high yield optimized method for the production of acylated ACPs enabling the analysis of enzymes involved in P. falciparum fatty acid biosynthesis
Lauciello, L. Lack, G. Scapozza, L. Perozzo, R.
Biochem Biophys Rep 2016 DOI: 10.1016/j.bbrep.2016.09.017

2015¶

Virtual screening: an in silico tool for interlacing the chemical universe with the proteome
Westermaier, Y. Barril, X. Scapozza, L.
Methods 2015 DOI: 10.1016/j.ymeth.2014.08.001

A subset of N-substituted phenothiazines inhibits NADPH oxidases
Seredenina, T. Chiriano, G. Filippova, A. Nayernia, Z. Mahiout, Z. Fioraso-Cartier, L. Plastre, O. Scapozza, L. Krause, K. H. Jaquet, V.
Free Radic Biol Med 2015 DOI: 10.1016/j.freeradbiomed.2015.05.023

Synthesis of 3-azabicyclo[3.2.2]nonanes and their antiprotozoal activities
Seebacher, W. Wolkinger, V. Faist, J. Kaiser, M. Brun, R. Saf, R. Bucar, F. Groblacher, B. Brantner, A. Merino, V. Kalia, Y. Scapozza, L. Perozzo, R. Weis, R.
Bioorg Med Chem Lett 2015 DOI: 10.1016/j.bmcl.2015.02.044

A Bioorthogonal Chemical Reporter of Viral Infection
Neef, A. B. Pernot, L. Schreier, V. N. Scapozza, L. Luedtke, N. W.
Angew Chem Int Ed Engl 2015 DOI: 10.1002/anie.201500250

A Bioorthogonal Chemical Reporter of Viral Infection
Neef, A. B. Pernot, L. Schreier, V. N. Scapozza, L. Luedtke, N. W.
Angew Chem Weinheim Bergstr Ger 2015 DOI: 10.1002/ange.201500250

NPM/ALK mutants resistant to ASP3026 display variable sensitivity to alternative ALK inhibitors but succumb to the novel compound PF-06463922
Mologni, L. Ceccon, M. Pirola, A. Chiriano, G. Piazza, R. Scapozza, L. Gambacorti-Passerini, C.
Oncotarget 2015 DOI: 10.18632/oncotarget.3122

Efficacy study of two novel hyaluronic acid-based formulations for viscosupplementation therapy in an early osteoarthrosic rabbit model
Kaderli, S. Viguier, E. Watrelot-Virieux, D. Roger, T. Gurny, R. Scapozza, L. Moller, M. Boulocher, C. Jordan, O.
Eur J Pharm Biopharm 2015 DOI: 10.1016/j.ejpb.2015.09.005

A novel biocompatible hyaluronic acid-chitosan hybrid hydrogel for osteoarthrosis therapy
Kaderli, S. Boulocher, C. Pillet, E. Watrelot-Virieux, D. Rougemont, A. L. Roger, T. Viguier, E. Gurny, R. Scapozza, L. Jordan, O.
Int J Pharm 2015 DOI: 10.1016/j.ijpharm.2015.01.052

A novel oxido-viscosifying Hyaluronic Acid-antioxidant conjugate for osteoarthritis therapy: biocompatibility assessments
Kaderli, S. Boulocher, C. Pillet, E. Watrelot-Virieux, D. Roger, T. Viguier, E. Gurny, R. Scapozza, L. Moller, M.
Eur J Pharm Biopharm 2015 DOI: 10.1016/j.ejpb.2014.10.016

Adrenergic antagonists restrict replication of Legionella
Harrison, C. F. Kicka, S. Kranjc, A. Finsel, I. Chiriano, G. Ouertatani-Sakouhi, H. Soldati, T. Scapozza, L. Hilbi, H.
Microbiology (Reading) 2015 DOI: 10.1099/mic.0.000094

Amoebae-Based Screening Reveals a Novel Family of Compounds Restricting Intracellular Legionella pneumophila
Harrison, C. F. Chiriano, G. Finsel, I. Manske, C. Hoffmann, C. Steiner, B. Kranjc, A. Patthey-Vuadens, O. Kicka, S. Trofimov, V. Ouertatani-Sakouhi, H. Soldati, T. Scapozza, L. Hilbi, H.
ACS Infect Dis 2015 DOI: 10.1021/acsinfecdis.5b00002

Caloric restriction induces energy-sparing alterations in skeletal muscle contraction, fiber composition and local thyroid hormone metabolism that persist during catch-up fat upon refeeding
De Andrade, P. B. Neff, L. A. Strosova, M. K. Arsenijevic, D. Patthey-Vuadens, O. Scapozza, L. Montani, J. P. Ruegg, U. T. Dulloo, A. G. Dorchies, O. M.
Front Physiol 2015 DOI: 10.3389/fphys.2015.00254

RNA interference screening identifies a novel role for PCTK1/CDK16 in medulloblastoma with c-Myc amplification
Cwiek, P. Leni, Z. Salm, F. Dimitrova, V. Styp-Rekowska, B. Chiriano, G. Carroll, M. Holand, K. Djonov, V. Scapozza, L. Guiry, P. Arcaro, A.
Oncotarget 2015 DOI: 10.18632/oncotarget.2699

2014¶

Differences in conformational dynamics between Plasmodium falciparum and human Hsp90 orthologues enable the structure-based discovery of pathogen-selective inhibitors
Wang, T. Bisson, W. H. Maser, P. Scapozza, L. Picard, D.
J Med Chem 2014 DOI: 10.1021/jm401801t

Synthesis and biological evaluation of benzo[4,5]imidazo[1,2-c]pyrimidine and benzo[4,5]imidazo[1,2-a]pyrazine derivatives as anaplastic lymphoma kinase inhibitors
Tardy, S. Orsato, A. Mologni, L. Bisson, W. H. Donadoni, C. Gambacorti-Passerini, C. Scapozza, L. Gueyrard, D. Goekjian, P. G.
Bioorg Med Chem 2014 DOI: 10.1016/j.bmc.2014.01.007

Synthesis of a non-peptidic PET tracer designed for alpha5beta1 integrin receptor
Monaco, A. Michelin, O. Prior, J. Ruegg, C. Scapozza, L. Seimbille, Y.
J Labelled Comp Radiopharm 2014 DOI: 10.1002/jlcr.3190

Targeted cutaneous delivery of ciclosporin A using micellar nanocarriers and the possible role of inter-cluster regions as molecular transport pathways
Lapteva, M. Santer, V. Mondon, K. Patmanidis, I. Chiriano, G. Scapozza, L. Gurny, R. Moller, M. Kalia, Y. N.
J Control Release 2014 DOI: 10.1016/j.jconrel.2014.09.021

Establishment and validation of whole-cell based fluorescence assays to identify anti-mycobacterial compounds using the Acanthamoeba castellanii-Mycobacterium marinum host-pathogen system
Kicka, S. Trofimov, V. Harrison, C. Ouertatani-Sakouhi, H. McKinney, J. Scapozza, L. Hilbi, H. Cosson, P. Soldati, T.
PLoS One 2014 DOI: 10.1371/journal.pone.0087834

Diapocynin, a dimer of the NADPH oxidase inhibitor apocynin, reduces ROS production and prevents force loss in eccentrically contracting dystrophic muscle
Ismail, H. M. Scapozza, L. Ruegg, U. T. Dorchies, O. M.
PLoS One 2014 DOI: 10.1371/journal.pone.0110708

Purine metabolite and energy charge analysis of Trypanosoma brucei cells in different growth phases using an optimized ion-pair RP-HPLC/UV for the quantification of adenine and guanine pools
Graven, P. Tambalo, M. Scapozza, L. Perozzo, R.
Exp Parasitol 2014 DOI: 10.1016/j.exppara.2014.03.006

2013¶

Identification of aggregation breakers for bevacizumab (Avastin(R)) self-association through similarity searching and interaction studies
Westermaier, Y. Veurink, M. Riis-Johannessen, T. Guinchard, S. Gurny, R. Scapozza, L.
Eur J Pharm Biopharm 2013 DOI: 10.1016/j.ejpb.2013.04.012

Breaking the aggregation of the monoclonal antibody bevacizumab (avastin(R)) by dexamethasone phosphate: insights from molecular modelling and asymmetrical flow field-flow fractionation
Veurink, M. Westermaier, Y. Gurny, R. Scapozza, L.
Pharm Res 2013 DOI: 10.1007/s11095-012-0955-6

TTAS a new stilbene derivative that induces apoptosis in Leishmania infantum
Tolomeo, M. Roberti, M. Scapozza, L. Tarantelli, C. Giacomini, E. Titone, L. Saporito, L. Di Carlo, P. Colomba, C.
Exp Parasitol 2013 DOI: 10.1016/j.exppara.2012.10.006

Naphthoquinone derivatives exert their antitrypanosomal activity via a multi-target mechanism
Pieretti, S. Haanstra, J. R. Mazet, M. Perozzo, R. Bergamini, C. Prati, F. Fato, R. Lenaz, G. Capranico, G. Brun, R. Bakker, B. M. Michels, P. A. Scapozza, L. Bolognesi, M. L. Cavalli, A.
PLoS Negl Trop Dis 2013 DOI: 10.1371/journal.pntd.0002012

Synthesis and preclinical evaluation of a new C-6 alkylated pyrimidine derivative as a PET imaging agent for HSV1-tk gene expression
Muller, U. Ross, T. L. Ranadheera, C. Slavik, R. Muller, A. Born, M. Trauffer, E. Sephton, S. M. Scapozza, L. Kramer, S. D. Ametamey, S. M.
Am J Nucl Med Mol Imaging 2013 DOI:

Synthesis and in vitro evaluation of a novel radioligand for alphavbeta3 integrin receptor imaging: [18F]FPPA-c(RGDfK)
Monaco, A. Zoete, V. Alghisi, G. C. Ruegg, C. Michelin, O. Prior, J. Scapozza, L. Seimbille, Y.
Bioorg Med Chem Lett 2013 DOI: 10.1016/j.bmcl.2013.09.031

C-5 hydroxyethyl and hydroxypropyl acyclonucleosides as substrates for thymidine kinase of herpes simplex virus type 1 (HSV-1 TK): syntheses and biological evaluation
Mescic, A. Kristafor, S. Novakovic, I. Osmanovic, A. Muller, U. Zavrsnik, D. Ametamey, S. M. Scapozza, L. Raic-Malic, S.
Molecules 2013 DOI: 10.3390/molecules18055104

Expression, purification and biochemical characterization of recombinant Ca-dependent protein kinase 2 of the malaria parasite Plasmodium falciparum
Lauciello, L. Kappes, B. Scapozza, L. Perozzo, R.
Protein Expr Purif 2013 DOI: 10.1016/j.pep.2013.06.006

RNA pentaloop structures as effective targets of regulators belonging to the RsmA/CsrA protein family
Lapouge, K. Perozzo, R. Iwaszkiewicz, J. Bertelli, C. Zoete, V. Michielin, O. Scapozza, L. Haas, D.
RNA Biol 2013 DOI: 10.4161/rna.24771

Inhibition of iPLA2 beta and of stretch-activated channels by doxorubicin alters dystrophic muscle function
Ismail, H. M. Dorchies, O. M. Perozzo, R. Strosova, M. K. Scapozza, L. Ruegg, U. T.
Br J Pharmacol 2013 DOI: 10.1111/bph.12188

Crizotinib-resistant NPM-ALK mutants confer differential sensitivity to unrelated Alk inhibitors
Ceccon, M. Mologni, L. Bisson, W. Scapozza, L. Gambacorti-Passerini, C.
Mol Cancer Res 2013 DOI: 10.1158/1541-7786.MCR-12-0569

Design, synthesis, and biological and crystallographic evaluation of novel inhibitors of Plasmodium falciparum enoyl-ACP-reductase (PfFabI)
Belluti, F. Perozzo, R. Lauciello, L. Colizzi, F. Kostrewa, D. Bisi, A. Gobbi, S. Rampa, A. Bolognesi, M. L. Recanatini, M. Brun, R. Scapozza, L. Cavalli, A.
J Med Chem 2013 DOI: 10.1021/jm400637m

2012¶

The different flexibility of c-Src and c-Abl kinases regulates the accessibility of a druggable inactive conformation
Lovera, S. Sutto, L. Boubeva, R. Scapozza, L. Dolker, N. Gervasio, F. L.
J Am Chem Soc 2012 DOI: 10.1021/ja210751t

Validation of a novel molecular dynamics simulation approach for lipophilic drug incorporation into polymer micelles
Kasimova, A. O. Pavan, G. M. Danani, A. Mondon, K. Cristiani, A. Scapozza, L. Gurny, R. Moller, M.
J Phys Chem B 2012 DOI: 10.1021/jp2104819

The pharmaceutical biochemistry group: where pharmaceutical chemistry meets biology and drug delivery
Kalia, Y. N. Perozzo, R. Scapozza, L.
Chimia (Aarau) 2012 DOI: 10.2533/chimia.2012.313

2011¶

The ALK gene, an attractive target for inhibitor development
Tartari, C. J. Scapozza, L. Gambacorti-Passerini, C.
Curr Top Med Chem 2011 DOI: 10.2174/156802611795589593

Synthesis, crystal structure, and in vitro biological evaluation of C-6 pyrimidine derivatives: new lead structures for monitoring gene expression in vivo
Martic, M. Pernot, L. Westermaier, Y. Perozzo, R. Kraljevic, T. G. Kristafor, S. Raic-Malic, S. Scapozza, L. Ametamey, S.
Nucleosides Nucleotides Nucleic Acids 2011 DOI: 10.1080/15257770.2011.581258

Crystal structures of T. b. rhodesiense adenosine kinase complexed with inhibitor and activator: implications for catalysis and hyperactivation
Kuettel, S. Greenwald, J. Kostrewa, D. Ahmed, S. Scapozza, L. Perozzo, R.
PLoS Negl Trop Dis 2011 DOI: 10.1371/journal.pntd.0001164

A new N-methyl thymine derivative comprising a dihydroxyisobutenyl unit as ligand for thymidine kinase of herpes simplex virus type 1 (HSV-1 TK)
Kristafor, S. Novakovic, I. Gazivoda Kraljevic, T. Kraljevic Pavelic, S. Lucin, P. Westermaier, Y. Pernot, L. Scapozza, L. Ametamey, S. M. Raic-Malic, S.
Bioorg Med Chem Lett 2011 DOI: 10.1016/j.bmcl.2011.07.115

NADPH oxidase (NOX) isoforms are inhibited by celastrol with a dual mode of action
Jaquet, V. Marcoux, J. Forest, E. Leidal, K. G. McCormick, S. Westermaier, Y. Perozzo, R. Plastre, O. Fioraso-Cartier, L. Diebold, B. Scapozza, L. Nauseef, W. M. Fieschi, F. Krause, K. H. Bedard, K.
Br J Pharmacol 2011 DOI: 10.1111/j.1476-5381.2011.01439.x

Noninvasive transdermal iontophoretic delivery of biologically active human basic fibroblast growth factor
Dubey, S. Perozzo, R. Scapozza, L. Kalia, Y. N.
Mol Pharm 2011 DOI: 10.1021/mp200125j

The role of the N-terminal domain in the regulation of the "constitutively active" conformation of protein kinase CK2alpha: insight from a molecular dynamics investigation
Cristiani, A. Costa, G. Cozza, G. Meggio, F. Scapozza, L. Moro, S.
ChemMedChem 2011 DOI: 10.1002/cmdc.201100046

ClickMD: an intuitive web-oriented molecular dynamics platform
Cristiani, A. Brisotto, N. Cedrati, F. C. Floris, M. Scapozza, L. Moro, S.
Future Med Chem 2011 DOI: 10.4155/fmc.11.59

Backbone assignment of the tyrosine kinase Src catalytic domain in complex with imatinib
Campos-Olivas, R. Marenchino, M. Scapozza, L. Gervasio, F. L.
Biomol NMR Assign 2011 DOI: 10.1007/s12104-011-9304-7

Design, synthesis, and biological activity of urea derivatives as anaplastic lymphoma kinase inhibitors
af Gennas, G. B. Mologni, L. Ahmed, S. Rajaratnam, M. Marin, O. Lindholm, N. Viltadi, M. Gambacorti-Passerini, C. Scapozza, L. Yli-Kauhaluoma, J.
ChemMedChem 2011 DOI: 10.1002/cmdc.201100168

2010¶

Synthesis, structure-activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors
Mologni, L. Rostagno, R. Brussolo, S. Knowles, P. P. Kjaer, S. Murray-Rust, J. Rosso, E. Zambon, A. Scapozza, L. McDonald, N. Q. Lucchini, V. Gambacorti-Passerini, C.
Bioorg Med Chem 2010 DOI: 10.1016/j.bmc.2010.01.011

Single-molecule pulling simulations can discern active from inactive enzyme inhibitors
Colizzi, F. Perozzo, R. Scapozza, L. Recanatini, M. Cavalli, A.
J Am Chem Soc 2010 DOI: 10.1021/ja100259r

2009¶

A novel FIP1L1-PDGFRA mutant destabilizing the inactive conformation of the kinase domain in chronic eosinophilic leukemia/hypereosinophilic syndrome
Salemi, S. Yousefi, S. Simon, D. Schmid, I. Moretti, L. Scapozza, L. Simon, H. U.
Allergy 2009 DOI: 10.1111/j.1398-9995.2009.01943.x

Adenosine Kinase of T. b. Rhodesiense identified as the putative target of 4-[5-(4-phenoxyphenyl)-2H-pyrazol-3-yl]morpholine using chemical proteomics
Kuettel, S. Mosimann, M. Maser, P. Kaiser, M. Brun, R. Scapozza, L. Perozzo, R.
PLoS Negl Trop Dis 2009 DOI: 10.1371/journal.pntd.0000506

Small-molecule NOX inhibitors: ROS-generating NADPH oxidases as therapeutic targets
Jaquet, V. Scapozza, L. Clark, R. A. Krause, K. H. Lambeth, J. D.
Antioxid Redox Signal 2009 DOI: 10.1089/ARS.2009.2585

2008¶

Characterization of some molecular mechanisms governing autoactivation of the catalytic domain of the anaplastic lymphoma kinase
Tartari, C. J. Gunby, R. H. Coluccia, A. M. Sottocornola, R. Cimbro, B. Scapozza, L. Donella-Deana, A. Pinna, L. A. Gambacorti-Passerini, C.
J Biol Chem 2008 DOI: 10.1074/jbc.M706067200

Characterization of compound 584, an Abl kinase inhibitor with lasting effects
Puttini, M. Redaelli, S. Moretti, L. Brussolo, S. Gunby, R. H. Mologni, L. Marchesi, E. Cleris, L. Donella-Deana, A. Drueckes, P. Sala, E. Lucchini, V. Kubbutat, M. Formelli, F. Zambon, A. Scapozza, L. Gambacorti-Passerini, C.
Haematologica 2008 DOI: 10.3324/haematol.12212

Caspase-8 is activated by cathepsin D initiating neutrophil apoptosis during the resolution of inflammation
Conus, S. Perozzo, R. Reinheckel, T. Peters, C. Scapozza, L. Yousefi, S. Simon, H. U.
J Exp Med 2008 DOI: 10.1084/jem.20072152

Homology modeling and dynamics of the extracellular domain of rat and human neuronal nicotinic acetylcholine receptor subtypes alpha4beta2 and alpha7
Bisson, W. H. Westera, G. Schubiger, P. A. Scapozza, L.
J Mol Model 2008 DOI: 10.1007/s00894-008-0340-x

2007¶

Cross-reactivity and 1.4-A crystal structure of Malassezia sympodialis thioredoxin (Mala s 13), a member of a new pan-allergen family
Limacher, A. Glaser, A. G. Meier, C. Schmid-Grendelmeier, P. Zeller, S. Scapozza, L. Crameri, R.
J Immunol 2007 DOI: 10.4049/jimmunol.178.1.389

Synthesis and evaluation of antiparasitic activities of new 4-[5-(4-phenoxyphenyl)-2H-pyrazol-3-yl]morpholine derivatives
Kuettel, S. Zambon, A. Kaiser, M. Brun, R. Scapozza, L. Perozzo, R.
J Med Chem 2007 DOI: 10.1021/jm700938n

Development and validation of a capillary electrophoresis method for the characterization of herpes simplex virus type 1 (HSV-1) thymidine kinase substrates and inhibitors
Iqbal, J. Scapozza, L. Folkers, G. Muller, C. E.
J Chromatogr B Analyt Technol Biomed Life Sci 2007 DOI: 10.1016/j.jchromb.2006.09.018

2006¶

Calpain-mediated cleavage of Atg5 switches autophagy to apoptosis
Yousefi, S. Perozzo, R. Schmid, I. Ziemiecki, A. Schaffner, T. Scapozza, L. Brunner, T. Simon, H. U.
Nat Cell Biol 2006 DOI: 10.1038/ncb1482

Inhibition of Plasmodium falciparum fatty acid biosynthesis: evaluation of FabG, FabZ, and FabI as drug targets for flavonoids
Tasdemir, D. Lack, G. Brun, R. Ruedi, P. Scapozza, L. Perozzo, R.
J Med Chem 2006 DOI: 10.1021/jm0600545

In vitro and in vivo activity of SKI-606, a novel Src-Abl inhibitor, against imatinib-resistant Bcr-Abl+ neoplastic cells
Puttini, M. Coluccia, A. M. Boschelli, F. Cleris, L. Marchesi, E. Donella-Deana, A. Ahmed, S. Redaelli, S. Piazza, R. Magistroni, V. Andreoni, F. Scapozza, L. Formelli, F. Gambacorti-Passerini, C.
Cancer Res 2006 DOI: 10.1158/0008-5472.CAN-06-1199

Inhibition of RET tyrosine kinase by SU5416
Mologni, L. Sala, E. Cazzaniga, S. Rostagno, R. Kuoni, T. Puttini, M. Bain, J. Cleris, L. Redaelli, S. Riva, B. Formelli, F. Scapozza, L. Gambacorti-Passerini, C.
J Mol Endocrinol 2006 DOI: 10.1677/jme.1.01999

The crystal structure of Aspergillus fumigatus cyclophilin reveals 3D domain swapping of a central element
Limacher, A. Kloer, D. P. Fluckiger, S. Folkers, G. Crameri, R. Scapozza, L.
Structure 2006 DOI: 10.1016/j.str.2005.10.015

Recombinant expression and biochemical characterization of the unique elongating beta-ketoacyl-acyl carrier protein synthase involved in fatty acid biosynthesis of Plasmodium falciparum using natural and artificial substrates
Lack, G. Homberger-Zizzari, E. Folkers, G. Scapozza, L. Perozzo, R.
J Biol Chem 2006 DOI: 10.1074/jbc.M509119200

Synthesis and characterization of a C6 nucleoside analogue for the in vivo imaging of the gene expression of herpes simplex virus type-1 thymidine kinase (HSV1 TK)
Johayem, A. Raic-Malic, S. Lazzati, K. Schubiger, P. A. Scapozza, L. Ametamey, S. M.
Chem Biodivers 2006 DOI: 10.1002/cbdv.200690030

Structural insights into the ATP binding pocket of the anaplastic lymphoma kinase by site-directed mutagenesis, inhibitor binding analysis, and homology modeling
Gunby, R. H. Ahmed, S. Sottocornola, R. Gasser, M. Redaelli, S. Mologni, L. Tartari, C. J. Belloni, V. Gambacorti-Passerini, C. Scapozza, L.
J Med Chem 2006 DOI: 10.1021/jm060380k

Analysis of the cross-reactivity and of the 1.5 A crystal structure of the Malassezia sympodialis Mala s 6 allergen, a member of the cyclophilin pan-allergen family
Glaser, A. G. Limacher, A. Fluckiger, S. Scheynius, A. Scapozza, L. Crameri, R.
Biochem J 2006 DOI: 10.1042/BJ20051708

High-level expression and purification of human thymidine kinase 1: quaternary structure, stability, and kinetics
Birringer, M. S. Perozzo, R. Kut, E. Stillhart, C. Surber, W. Scapozza, L. Folkers, G.
Protein Expr Purif 2006 DOI: 10.1016/j.pep.2006.01.001

2005¶

Synthesis and in vitro characterization of organometallic rhenium and technetium glucose complexes against Glut 1 and hexokinase
Schibli, R. Dumas, C. Petrig, J. Spadola, L. Scapozza, L. Garcia-Garayoa, E. Schubiger, P. A.
Bioconjug Chem 2005 DOI: 10.1021/bc049774l

Evidence for D276G and L364I Bcr-Abl mutations in Ph+ leukaemic cells obtained from patients resistant to Imatinib
Piazza, R. G. Magistroni, V. Gasser, M. Andreoni, F. Galietta, A. Scapozza, L. Gambacorti-Passerini, C.
Leukemia 2005 DOI: 10.1038/sj.leu.2403453

Correlation-associated peptide networks of human cerebrospinal fluid
Lamerz, J. Selle, H. Scapozza, L. Crameri, R. Schulz-Knappe, P. Mohring, T. Kellmann, M. Khamenia, V. Zucht, H. D.
Proteomics 2005 DOI: 10.1002/pmic.200401192

Peptide sequence prediction supported by correlation-associated networks in human cerebrospinal fluid
Lamerz, J. Crameri, R. Scapozza, L. Mohring, T. Selle, H. Zucht, H. D.
Comb Chem High Throughput Screen 2005 DOI: 10.2174/138620705774962463

The crystal structure of PfFabZ, the unique beta-hydroxyacyl-ACP dehydratase involved in fatty acid biosynthesis of Plasmodium falciparum
Kostrewa, D. Winkler, F. K. Folkers, G. Scapozza, L. Perozzo, R.
Protein Sci 2005 DOI: 10.1110/ps.051373005

An enzyme-linked immunosorbent assay to screen for inhibitors of the oncogenic anaplastic lymphoma kinase
Gunby, R. H. Tartari, C. J. Porchia, F. Donella-Deana, A. Scapozza, L. Gambacorti-Passerini, C.
Haematologica 2005 DOI:

Development of a three-dimensional model for the N-methyl-D-aspartate NR2A subunit
Grazioso, G. Moretti, L. Scapozza, L. De Amici, M. De Micheli, C.
J Med Chem 2005 DOI: 10.1021/jm050174x

Abl inhibitor BMS354825 binding mode in Abelson kinase revealed by molecular docking studies
Gambacorti-Passerini, C. Gasser, M. Ahmed, S. Assouline, S. Scapozza, L.
Leukemia 2005 DOI: 10.1038/sj.leu.2403775

Unique substrate specificity of anaplastic lymphoma kinase (ALK): development of phosphoacceptor peptides for the assay of ALK activity
Donella-Deana, A. Marin, O. Cesaro, L. Gunby, R. H. Ferrarese, A. Coluccia, A. M. Tartari, C. J. Mologni, L. Scapozza, L. Gambacorti-Passerini, C. Pinna, L. A.
Biochemistry 2005 DOI: 10.1021/bi0472954

Anaplastic lymphoma kinase and its signalling molecules as novel targets in lymphoma therapy
Coluccia, A. M. Gunby, R. H. Tartari, C. J. Scapozza, L. Gambacorti-Passerini, C. Passoni, L.
Expert Opin Ther Targets 2005 DOI: 10.1517/14728222.9.3.515

Ligand selectivity for the acetylcholine binding site of the rat alpha4beta2 and alpha3beta4 nicotinic subtypes investigated by molecular docking
Bisson, W. H. Scapozza, L. Westera, G. Mu, L. Schubiger, P. A.
J Med Chem 2005 DOI: 10.1021/jm040881a

Structure of a type II thymidine kinase with bound dTTP
Birringer, M. S. Claus, M. T. Folkers, G. Kloer, D. P. Schulz, G. E. Scapozza, L.
FEBS Lett 2005 DOI: 10.1016/j.febslet.2005.01.034

2004¶

Biochemical and structural characterization of (South)-methanocarbathymidine that specifically inhibits growth of herpes simplex virus type 1 thymidine kinase-transduced osteosarcoma cells
Schelling, P. Claus, M. T. Johner, R. Marquez, V. E. Schulz, G. E. Scapozza, L.
J Biol Chem 2004 DOI: 10.1074/jbc.M313343200

Synthesis, 18F-radiolabelling and biological evaluations of C-6 alkylated pyrimidine nucleoside analogues
Raic-Malic, S. Johayem, A. Ametamey, S. M. Batinac, S. De Clercq, E. Folkers, G. Scapozza, L.
Nucleosides Nucleotides Nucleic Acids 2004 DOI: 10.1081/NCN-200033914

Thermodynamics of protein-ligand interactions: history, presence, and future aspects
Perozzo, R. Folkers, G. Scapozza, L.
J Recept Signal Transduct Res 2004 DOI: 10.1081/rrs-120037896

A molecular dynamics study of reovirus attachment protein sigma1 reveals conformational changes in sigma1 structure
Cavalli, A. Prota, A. E. Stehle, T. Dermody, T. S. Recanatini, M. Folkers, G. Scapozza, L.
Biophys J 2004 DOI: 10.1529/biophysj.103.030825

2003¶

Homology modelling and docking studies on Varicella Zoster Virus Thymidine kinase
Spadola, L. Novellino, E. Folkers, G. Scapozza, L.
Eur J Med Chem 2003 DOI: 10.1016/s0223-5234(03)00053-9

Synthesis and biological evaluation of 5-substituted derivatives of the potent antiherpes agent (north)-methanocarbathymine
Russ, P. Schelling, P. Scapozza, L. Folkers, G. Clercq, E. D. Marquez, V. E.
J Med Chem 2003 DOI: 10.1021/jm030241s

Synthesis and biological evaluation of iodinated and fluorinated 9-(2-hydroxypropyl) and 9-(2-hydroxyethoxy)methyl purine nucleoside analogues
Prekupec, S. Svedruzic, D. Gazivoda, T. Mrvos-Sermek, D. Nagl, A. Grdisa, M. Pavelic, K. Balzarini, J. De Clercq, E. Folkers, G. Scapozza, L. Mintas, M. Raic-Malic, S.
J Med Chem 2003 DOI: 10.1021/jm0308747

Tautomerism in computer-aided drug design
Pospisil, P. Ballmer, P. Scapozza, L. Folkers, G.
J Recept Signal Transduct Res 2003 DOI: 10.1081/rrs-120026975

Identification of basic amino acid residues important for citrate binding by the periplasmic receptor domain of the sensor kinase CitA
Gerharz, T. Reinelt, S. Kaspar, S. Scapozza, L. Bott, M.
Biochemistry 2003 DOI: 10.1021/bi0340595

Molecular mechanisms of resistance to imatinib in Philadelphia-chromosome-positive leukaemias
Gambacorti-Passerini, C. B. Gunby, R. H. Piazza, R. Galietta, A. Rostagno, R. Scapozza, L.
Lancet Oncol 2003 DOI: 10.1016/s1470-2045(03)00979-3

2002¶

Methodology and problems of protein-ligand docking: case study of dihydroorotate dehydrogenase, thymidine kinase, and phosphodiesterase 4
Pospisil, P. Kuoni, T. Scapozza, L. Folkers, G.
J Recept Signal Transduct Res 2002 DOI: 10.1081/rrs-120014592

Differences between in vivo and in vitro sensitivity to imatinib of Bcr/Abl+ cells obtained from leukemic patients
Gambacorti-Passerini, C. B. Rossi, F. Verga, M. Ruchatz, H. Gunby, R. Frapolli, R. Zucchetti, M. Scapozza, L. Bungaro, S. Tornaghi, L. Rossi, F. Pioltelli, P. Pogliani, E. D'Incalci, M. Corneo, G.
Blood Cells Mol Dis 2002 DOI: 10.1006/bcmd.2002.0526

Immunological and structural analysis of IgE-mediated cross-reactivity between manganese superoxide dismutases
Fluckiger, S. Scapozza, L. Mayer, C. Blaser, K. Folkers, G. Crameri, R.
Int Arch Allergy Immunol 2002 DOI: 10.1159/000063862

Comparison of the crystal structures of the human manganese superoxide dismutase and the homologous Aspergillus fumigatus allergen at 2-A resolution
Fluckiger, S. Mittl, P. R. Scapozza, L. Fijten, H. Folkers, G. Grutter, M. G. Blaser, K. Crameri, R.
J Immunol 2002 DOI: 10.4049/jimmunol.168.3.1267

2001¶

Folding and self-assembly of herpes simplex virus type 1 thymidine kinase
Wurth, C. Thomas, R. M. Folkers, G. Scapozza, L.
J Mol Biol 2001 DOI: 10.1006/jmbi.2001.5060

The effect of substrate binding on the conformation and structural stability of Herpes simplex virus type 1 thymidine kinase
Wurth, C. Kessler, U. Vogt, J. Schulz, G. E. Folkers, G. Scapozza, L.
Protein Sci 2001 DOI: 10.1110/ps.27401

The rational of catalytic activity of herpes simplex virus thymidine kinase. a combined biochemical and quantum chemical study
Sulpizi, M. Schelling, P. Folkers, G. Carloni, P. Scapozza, L.
J Biol Chem 2001 DOI: 10.1074/jbc.M010223200

A spectrophotometric assay for quantitative determination of kcat of herpes simplex virus type 1 thymidine kinase substrates
Schelling, P. Folkers, G. Scapozza, L.
Anal Biochem 2001 DOI: 10.1006/abio.2001.5191

Three-dimensional model of the cyclin-dependent kinase 1 (CDK1): Ab initio active site parameters for molecular dynamics studies of CDKS
Cavalli, A. Dezi, C. Folkers, G. Scapozza, L. Recanatini, M.
Proteins 2001 DOI: 10.1002/prot.10013

2000¶

Nucleoside binding site of herpes simplex type 1 thymidine kinase analyzed by X-ray crystallography
Vogt, J. Perozzo, R. Pautsch, A. Prota, A. Schelling, P. Pilger, B. Folkers, G. Scapozza, L. Schulz, G. E.
Proteins 2000 DOI: 10.1002/1097-0134(20001201)41:4<545::aid-prot110>3.0.co;2-8

Kinetics and crystal structure of the wild-type and the engineered Y101F mutant of Herpes simplex virus type 1 thymidine kinase interacting with (North)-methanocarba-thymidine
Prota, A. Vogt, J. Pilger, B. Perozzo, R. Wurth, C. Marquez, V. E. Russ, P. Schulz, G. E. Folkers, G. Scapozza, L.
Biochemistry 2000 DOI: 10.1021/bi000668q

Compulsory order of substrate binding to herpes simplex virus type 1 thymidine kinase. A calorimetric study
Perozzo, R. Jelesarov, I. Bosshard, H. R. Folkers, G. Scapozza, L.
J Biol Chem 2000 DOI: 10.1074/jbc.M000509200

Highly purified recombinant varicella Zoster virus thymidine kinase is a homodimer
Amrhein, I. Wurth, C. Bohner, T. Hofbauer, R. Folkers, G. Scapozza, L.
Protein Expr Purif 2000 DOI: 10.1006/prep.2000.1201

1999¶

Iridoid glycosides of Leonurus persicus
Tasdemir, D. Scapozza, L. Zerbe, O. Linden, A. Calis, I. Sticher, O.
J Nat Prod 1999 DOI: 10.1021/np980376e

Substrate diversity of herpes simplex virus thymidine kinase. Impact Of the kinematics of the enzyme
Pilger, B. D. Perozzo, R. Alber, F. Wurth, C. Folkers, G. Scapozza, L.
J Biol Chem 1999 DOI: 10.1074/jbc.274.45.31967

Interaction of the recombinant herpes simplex virus type 1 thymidine kinase with thymidine and aciclovir: a kinetic study
Kussmann-Gerber, S. Wurth, C. Scapozza, L. Pilger, B. D. Pliska, V. Folkers, G.
Nucleosides Nucleotides 1999 DOI: 10.1080/15257779908043078

The periplasmic domain of the histidine autokinase CitA functions as a highly specific citrate receptor
Kaspar, S. Perozzo, R. Reinelt, S. Meyer, M. Pfister, K. Scapozza, L. Bott, M.
Mol Microbiol 1999 DOI: 10.1046/j.1365-2958.1999.01536.x

Directed evolution of thymidine kinase for AZT phosphorylation using DNA family shuffling
Christians, F. C. Scapozza, L. Crameri, A. Folkers, G. Stemmer, W. P.
Nat Biotechnol 1999 DOI: 10.1038/7003

1998¶

Drug resistance of herpes simplex virus type 1--structural considerations at the molecular level of the thymidine kinase
Kussmann-Gerber, S. Kuonen, O. Folkers, G. Pilger, B. D. Scapozza, L.
Eur J Biochem 1998 DOI: 10.1046/j.1432-1327.1998.2550472.x

Density functional studies on herpes simplex virus type 1 thymidine kinase-substrate interactions: the role of Tyr-172 and Met-128 in thymine fixation
Alber, F. Kuonen, O. Scapozza, L. Folkers, G. Carloni, P.
Proteins 1998 DOI: 10.1002/(sici)1097-0134(19980601)31:4<453::aid-prot11>3.0.co;2-e

1997¶

The bioactive conformation of neuropeptide Y analogues at the human Y2-receptor
Rist, B. Ingenhoven, N. Scapozza, L. Schnorrenberg, G. Gaida, W. Wieland, H. A. Beck-Sickinger, A. G.
Eur J Biochem 1997 DOI: 10.1111/j.1432-1033.1997.01019.x

Integrated homology modelling and X-ray study of herpes simplex virus I thymidine kinase: a case study
Folkers, G. Alber, F. Amrhein, I. Behrends, H. Bohner, T. Gerber, S. Kuonen, O. Scapozza, L.
J Recept Signal Transduct Res 1997 DOI: 10.3109/10799899709036622

1996¶

Modified, cyclic dodecapeptide analog of neuropeptide Y is the smallest full agonist at the human Y2 receptor
Rist, B. Zerbe, O. Ingenhoven, N. Scapozza, L. Peers, C. Vaughan, P. F. McDonald, R. L. Wieland, H. A. Beck-Sickinger, A. G.
FEBS Lett 1996 DOI: 10.1016/0014-5793(96)00943-x

Allosteric regulation in a family of enterobacterial aspartate transcarbamylases: intramolecular transmission of regulatory signals in chimeric enzymes
Cunin, R. Wales, M. E. Van Vliet, F. De Staercke, C. Scapozza, L. Rani, C. S. Wild, J. R.
J Mol Biol 1996 DOI: 10.1006/jmbi.1996.0511

Batimastat, a potent matrix mealloproteinase inhibitor, exhibits an unexpected mode of binding
Botos, I. Scapozza, L. Zhang, D. Liotta, L. A. Meyer, E. F.
Proc Natl Acad Sci U S A 1996 DOI: 10.1073/pnas.93.7.2749

1995¶

Molecular dynamics and structure-based drug design for predicting non-natural nonapeptide binding to a class I MHC protein
Scapozza, L. Rognan, D. Folkers, G. Daser, A.
Acta Crystallogr D Biol Crystallogr 1995 DOI: 10.1107/S0907444995002678

Rational design of nonnatural peptides as high-affinity ligands for the HLA-B*2705 human leukocyte antigen
Rognan, D. Scapozza, L. Folkers, G. Daser, A.
Proc Natl Acad Sci U S A 1995 DOI: 10.1073/pnas.92.3.753

Structure-based analysis of inhibitor binding to Ht-d
Botos, I. Scapozza, L. Shannon, J. D. Fox, J. W. Meyer, E. F.
Acta Crystallogr D Biol Crystallogr 1995 DOI: 10.1107/S0907444995001910

1994¶

Molecular dynamics simulation of MHC-peptide complexes as a tool for predicting potential T cell epitopes
Rognan, D. Scapozza, L. Folkers, G. Daser, A.
Biochemistry 1994 DOI: 10.1021/bi00204a009

A new quantum chemical approach in QSAR-analysis. Parametrisation of conformational energies into molecular descriptors JMn (steric) and JSn (electronic)
Joshi, R. K. Meister, T. Scapozza, L. Ha, T. K.
Arzneimittelforschung 1994 DOI: