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Article ; Online: Characterization of signals for a Divertor Tokamak Test facility interferometer/polarimeter system.

Fiorucci, D / Giudicotti, L / Innocente, P / Terranova, D / Mazzotta, C / Tudisco, O

2021 Volume 92, Issue 3, Page(s) 33503

Abstract: In magnetically confined fusion experiments, laser interferometer/polarimeter systems allow one to determine plasma density, give valuable information on the internal magnetic fields, and contribute to the evaluation of the plasma magnetic equilibrium ... ...

Abstract	In magnetically confined fusion experiments, laser interferometer/polarimeter systems allow one to determine plasma density, give valuable information on the internal magnetic fields, and contribute to the evaluation of the plasma magnetic equilibrium and to the real-time estimation of the q profile to allow feedback configuration control. This work presents an analysis of the interferometric and polarimetric signals of a multi-chord far-infrared interferometer/polarimeter for the divertor tokamak test facility, the new tokamak device currently under construction in Italy. The polarimetric signals are calculated both with approximate formulas and by solving the equation describing the evolution of the laser beam polarization inside the plasma using the Mueller formalism. The latter method correctly accounts for crosstalk between Faraday rotation and the Cotton-Mouton effect. The impact of the plasma birefringence on the interferometric phase shift is also studied, and it is found that a perturbation of the interferometric phase shift is present also in the case of an initial fixed linear polarization of the probe laser beam.
Language	English
Publishing date	2021-04-06
Publishing country	United States
Document type	Journal Article
ZDB-ID	209865-9
ISSN	1089-7623 ; 0034-6748
ISSN (online)	1089-7623
ISSN	0034-6748
DOI	10.1063/5.0043516
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Identification of Novel Non-Nucleoside Inhibitors of Zika Virus NS5 Protein Targeting MTase Activity.

Fiorucci, Diego / Meaccini, Micaela / Poli, Giulio / Stincarelli, Maria Alfreda / Vagaggini, Chiara / Giannecchini, Simone / Sutto-Ortiz, Priscila / Canard, Bruno / Decroly, Etienne / Dreassi, Elena / Brai, Annalaura / Botta, Maurizio

International journal of molecular sciences

2024 Volume 25, Issue 4

Abstract: Zika virus (ZIKV) is a positive-sense single-stranded virus member of ... ...

Abstract	Zika virus (ZIKV) is a positive-sense single-stranded virus member of the
MeSH term(s)	Humans ; Zika Virus/metabolism ; Zika Virus Infection/drug therapy ; Models, Molecular ; Antiviral Agents/chemistry ; Viral Nonstructural Proteins/metabolism
Chemical Substances	Antiviral Agents ; Viral Nonstructural Proteins
Language	English
Publishing date	2024-02-19
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2019364-6
ISSN	1422-0067 ; 1422-0067 ; 1661-6596
ISSN (online)	1422-0067
ISSN	1422-0067 ; 1661-6596
DOI	10.3390/ijms25042437
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Article ; Online: Telescope-based cavity for negative ion beam neutralization in future fusion reactors.

Fiorucci, Donatella / Hreibi, Ali / Chaibi, Walid

Applied optics

2018 Volume 57, Issue 7, Page(s) B122–B134

Abstract: In future fusion reactors, heating system efficiency is of the utmost importance. Photo-neutralization substantially increases the neutral beam injector (NBI) efficiency with respect to the foreseen system in the International Thermonuclear Experimental ... ...

Abstract	In future fusion reactors, heating system efficiency is of the utmost importance. Photo-neutralization substantially increases the neutral beam injector (NBI) efficiency with respect to the foreseen system in the International Thermonuclear Experimental Reactor (ITER) based on a gaseous target. In this paper, we propose a telescope-based configuration to be used in the NBI photo-neutralizer cavity of the demonstration power plant (DEMO) project. This configuration greatly reduces the total length of the cavity, which likely solves overcrowding issues in a fusion reactor environment. Brought to a tabletop experiment, this cavity configuration is tested: a 4 mm beam width is obtained within a ≃1.5 m length cavity. The equivalent cavity g factor is measured to be 0.038(3), thus confirming the cavity stability.
Language	English
Publishing date	2018-03-01
Publishing country	United States
Document type	Journal Article
ISSN	1539-4522
ISSN (online)	1539-4522
DOI	10.1364/AO.57.00B122
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Article ; Online: Computational drug repurposing for the identification of SARS-CoV-2 main protease inhibitors.

Fiorucci, Diego / Milletti, Eva / Orofino, Francesco / Brizzi, Antonella / Mugnaini, Claudia / Corelli, Federico

Journal of biomolecular structure & dynamics

2020 Volume 39, Issue 16, Page(s) 6242–6248

Abstract: Accepted 7 July 2020ABSTRACTSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the virus responsible for the known COVID-19 disease. Since currently no definitive therapies or vaccines for the SARS-CoV-2 virus are available, there is an ... ...

Abstract	Accepted 7 July 2020ABSTRACTSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the virus responsible for the known COVID-19 disease. Since currently no definitive therapies or vaccines for the SARS-CoV-2 virus are available, there is an urgent need to identify effective drugs against SARS-CoV-2 infection. One of the best-known targets available is the main protease of this virus, crucial for the processing of polyproteins codified by viral RNA. In this work, we used a computational virtual screening procedure for the repurposing of commercial drugs available in the DrugBank database as inhibitors of the SARS-CoV-2 main protease. Molecular docking calculations and molecular dynamics (MD) simulations have been applied. The computational model was validated through a self-docking procedure. The screening procedure highlighted five interesting drugs that showed a comparable or higher docking score compared to the crystallographic compound and maintained the protein binding during the MD runs. Amongst these drugs, Ritonavir has been used in clinical trials with patients affected by COVID-19 and Nelfinavir showed anti-SARS-CoV-2 activity. The five identified drugs could be evaluated experimentally as inhibitors of the SARS-CoV-2 main protease in view of a possible COVID-19 treatment. Communicated by Ramaswamy H. Sarma.
MeSH term(s)	COVID-19/drug therapy ; COVID-19 Vaccines ; Drug Repositioning ; Humans ; Molecular Docking Simulation ; Protease Inhibitors ; SARS-CoV-2
Chemical Substances	COVID-19 Vaccines ; Protease Inhibitors
Keywords	covid19
Language	English
Publishing date	2020-07-24
Publishing country	England
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	49157-3
ISSN	1538-0254 ; 0739-1102
ISSN (online)	1538-0254
ISSN	0739-1102
DOI	10.1080/07391102.2020.1796805
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Article: Discovery and Optimization of a Novel Macrocyclic Amidinourea Series Active as Acidic Mammalian Chitinase Inhibitors.

Balestri, Lorenzo Jacopo Ilic / Trivisani, Claudia Immacolata / Orofino, Francesco / Fiorucci, Diego / Truglio, Giuseppina Ivana / D'Agostino, Ilaria / Poggialini, Federica / Botta, Lorenzo / Docquier, Jean-Denis / Dreassi, Elena

ACS medicinal chemistry letters

2023 Volume 14, Issue 4, Page(s) 417–424

Abstract: Our research group has been involved for a long time in the development of macrocyclic amidinoureas (MCAs) as antifungal agents. The mechanistic investigation drove us to perform ... ...

Abstract	Our research group has been involved for a long time in the development of macrocyclic amidinoureas (MCAs) as antifungal agents. The mechanistic investigation drove us to perform an
Language	English
Publishing date	2023-03-21
Publishing country	United States
Document type	Journal Article
ISSN	1948-5875
ISSN	1948-5875
DOI	10.1021/acsmedchemlett.2c00472
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Article: Computational drug repurposing for the identification of SARS-CoV-2 main protease inhibitors

Fiorucci, Diego / Milletti, Eva / Orofino, Francesco / Brizzi, Antonella / Mugnaini, Claudia / Corelli, Federico

J Biomol Struct Dyn

Abstract: Accepted 7 July 2020ABSTRACT Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the virus responsible for the known COVID-19 disease. Since currently no definitive therapies or vaccines for the SARS-CoV-2 virus are available, there is an ... ...

Abstract	Accepted 7 July 2020ABSTRACT Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the virus responsible for the known COVID-19 disease. Since currently no definitive therapies or vaccines for the SARS-CoV-2 virus are available, there is an urgent need to identify effective drugs against SARS-CoV-2 infection. One of the best-known targets available is the main protease of this virus, crucial for the processing of polyproteins codified by viral RNA. In this work, we used a computational virtual screening procedure for the repurposing of commercial drugs available in the DrugBank database as inhibitors of the SARS-CoV-2 main protease. Molecular docking calculations and molecular dynamics (MD) simulations have been applied. The computational model was validated through a self-docking procedure. The screening procedure highlighted five interesting drugs that showed a comparable or higher docking score compared to the crystallographic compound and maintained the protein binding during the MD runs. Amongst these drugs, Ritonavir has been used in clinical trials with patients affected by COVID-19 and Nelfinavir showed anti-SARS-CoV-2 activity. The five identified drugs could be evaluated experimentally as inhibitors of the SARS-CoV-2 main protease in view of a possible COVID-19 treatment. Communicated by Ramaswamy H. Sarma.
Keywords	covid19
Publisher	WHO
Document type	Article
Note	WHO #Covidence: #670348
Database	COVID19

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Article ; Online: Computational drug repurposing for the identification of SARS-CoV-2 main protease inhibitors

Fiorucci, Diego / Milletti, Eva / Orofino, Francesco / Brizzi, Antonella / Mugnaini, Claudia / Corelli, Federico

Journal of Biomolecular Structure and Dynamics

2020 , Page(s) 1–7

Keywords	Molecular Biology ; Structural Biology ; General Medicine ; covid19
Language	English
Publisher	Informa UK Limited
Publishing country	uk
Document type	Article ; Online
ZDB-ID	49157-3
ISSN	1538-0254 ; 0739-1102
ISSN (online)	1538-0254
ISSN	0739-1102
DOI	10.1080/07391102.2020.1796805
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article: Artemisinin Derivatives with Antimelanoma Activity Show Inhibitory Effect against Human DNA Topoisomerase 1.

Botta, Lorenzo / Filippi, Silvia / Zippilli, Claudio / Cesarini, Silvia / Bizzarri, Bruno Mattia / Cirigliano, Angela / Rinaldi, Teresa / Paiardini, Alessandro / Fiorucci, Diego / Saladino, Raffaele / Negri, Rodolfo / Benedetti, Pietro

ACS medicinal chemistry letters

2020 Volume 11, Issue 5, Page(s) 1035–1040

Abstract: Artesunic acid and artemisinin are natural substances with promiscuous anticancer activity against different types of cancer cell lines. The mechanism of action of these compounds is associated with the formation of reactive radical species by cleavage ... ...

Abstract	Artesunic acid and artemisinin are natural substances with promiscuous anticancer activity against different types of cancer cell lines. The mechanism of action of these compounds is associated with the formation of reactive radical species by cleavage of the sesquiterpene pharmacophore endoperoxide bridge. Here we suggested topoisomerase 1 as a possible molecular target for the improvement of the anticancer activity of these compounds. In this context, we report that novel hybrid and dimer derivatives of artesunic acid and artemisinin, bearing camptothecin and SN38 as side-chain biological effectors, can inhibit growth of yeast cells overexpressing human topoisomerase 1 and its enzymatic activity
Language	English
Publishing date	2020-04-10
Publishing country	United States
Document type	Journal Article
ISSN	1948-5875
ISSN	1948-5875
DOI	10.1021/acsmedchemlett.0c00131
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article: Earthquake Early Warning Using Future Generation Gravity Strainmeters

Juhel, K. / Ampuero, J. P. / Barsuglia, M. / Bernard, P. / Chassande‐Mottin, E. / Fiorucci, D. / Harms, J. / Montagner, J.‐P. / Vallée, M. / Whiting, B. F.

Journal of geophysical research. 2018 Dec., v. 123, no. 12

2018

Abstract: Recent studies reported the observation of prompt elastogravity signals during the 2011 M9.1 Tohoku earthquake, recorded with broadband seismometers and gravimeter between the rupture onset and the arrival of the seismic waves. Here we show that to ... ...

Abstract	Recent studies reported the observation of prompt elastogravity signals during the 2011 M9.1 Tohoku earthquake, recorded with broadband seismometers and gravimeter between the rupture onset and the arrival of the seismic waves. Here we show that to extend the range of magnitudes over which the gravity perturbations can be observed and reduce the time needed for their detection, high‐precision gravity strainmeters under development could be used, such as torsion bars, superconducting gradiometers, or strainmeters based on atom interferometers. These instruments measure the differential gravitational acceleration between two seismically isolated test masses and are initially designed to observe gravitational waves around 0.1 Hz. Our analysis involves simulations of the expected gravity strain signals generated by fault rupture, based on an analytical model of gravity perturbations in a homogeneous half‐space. We show that future gravity strainmeters should be able to detect prompt gravity perturbations induced by earthquakes larger than M7, up to 1,000 km from the earthquake centroid within P waves travel time and up to 120 km within the first 10 s of rupture onset, provided a sensitivity in gravity strain of 10⁻¹⁵ Hz⁻¹/² at 0.1 Hz can be achieved. Our results further suggest that, in comparison to conventional P wave‐based earthquake‐early warning systems, gravity‐based earthquake‐early warning systems could perform faster detections of large offshore subduction earthquakes (at least larger than M7.3). Gravity strainmeters could also perform earlier magnitude estimates, within the duration of the fault rupture, and therefore complement current tsunami warning systems.
Keywords	earthquakes ; geophysics ; gravity ; models ; research ; subduction ; tsunamis
Language	English
Dates of publication	2018-12
Size	p. 10,889-10,902.
Publishing place	John Wiley & Sons, Ltd
Document type	Article
Note	JOURNAL ARTICLE
ISSN	2169-9313
DOI	10.1029/2018JB016698
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: In vitro characterization, ADME analysis, and histological and toxicological evaluation of BM1, a macrocyclic amidinourea active against azole-resistant Candida strains.

Orofino, Francesco / Truglio, Giuseppina I / Fiorucci, Diego / D'Agostino, Ilaria / Borgini, Matteo / Poggialini, Federica / Zamperini, Claudio / Dreassi, Elena / Maccari, Laura / Torelli, Riccardo / Martini, Cecilia / Bernabei, Micaela / Meis, Jacques F / Khandelwal, Nitesh Kumar / Prasad, Rajendra / Sanguinetti, Maurizio / Bugli, Francesca / Botta, Maurizio

International journal of antimicrobial agents

2019 Volume 55, Issue 3, Page(s) 105865

Abstract: Background: Candida species are one of the most common causes of nosocomial bloodstream infections among the opportunistic fungi. Extensive use of antifungal agents, most of which were launched on the market more than 20 years ago, led to the selection ... ...

Abstract	Background: Candida species are one of the most common causes of nosocomial bloodstream infections among the opportunistic fungi. Extensive use of antifungal agents, most of which were launched on the market more than 20 years ago, led to the selection of drug-resistant or even multidrug-resistant fungi. We recently described a novel class of antifungal macrocyclic compounds with an amidinourea moiety that is highly active against azole-resistant Candida strains. Objective: A compound from this family, BM1, was investigated in terms of in vitro activity against various Candida species, including C. auris isolates, interaction with the ABC transporter, CDR6, and in vivo distribution and safety. Methods: In vitro assays (CYP inhibition, microsomal stability, permeability, spot assays) were used to collect chemical and biological data; animal models (rat) paired with LC-MS analysis were utilised to evaluate in vivo toxicology, pharmacokinetics, and distribution. Results: The current research shows BM1 has a low in vivo toxicity profile, affinity for the renal system in rats, and good absorption, distribution, metabolism, and excretion (ADME). BM1 also has potent activity against azole-resistant fungal strains, including C. auris isolates and CDR6-overexpressing strains. Conclusions: The results confirmed low minimum inhibitory concentrations (MICs) against several Candida species, including preliminary data vs. C. auris. BM1 has good ADME and biochemical characteristics, is suitable and safe for daily administration and is particularly indicated for renal infections. These data indicate BM1 and its derivatives form a novel, promising antifungal class.
MeSH term(s)	Animals ; Antifungal Agents/pharmacology ; Antifungal Agents/therapeutic use ; Azoles/pharmacology ; Candida/drug effects ; Candidiasis/drug therapy ; Drug Resistance, Fungal/drug effects ; Guanidine/analogs & derivatives ; Guanidine/pharmacology ; Guanidine/therapeutic use ; Microbial Sensitivity Tests ; Rats ; Urea/analogs & derivatives ; Urea/pharmacology ; Urea/therapeutic use
Chemical Substances	Antifungal Agents ; Azoles ; guanidine carboxamide (141-83-3) ; Urea (8W8T17847W) ; Guanidine (JU58VJ6Y3B)
Language	English
Publishing date	2019-12-20
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	1093977-5
ISSN	1872-7913 ; 0924-8579
ISSN (online)	1872-7913
ISSN	0924-8579
DOI	10.1016/j.ijantimicag.2019.105865
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