Istituto di Cristallografia - CNR
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Primo Ricercatore

Mangiatordi Giuseppe Felice

Bari

Giuseppe Felice Mangiatordi obtained his M.Sc. degree in Chemistry and Pharmaceutical Technology cum laude at the University of Bari in 2008 and a PhD in theoretical chemistry at the École Nationale Supérieure de Chimie de Paris (ENSCP – Paris) in 2012. From 2013 to 2017 he was postdoctoral researcher at the University of Bari (Dipartimento di Farmacia – Scienze del Farmaco). Since December 2018 he has a permanent position as researcher of the National Research Council (CNR) where he is head of the in-silico design laboratory (INSIDEL@b). He has major expertise in structure- and ligand based drug design, Molecular Dynamics (MD) simulations and predictive toxicology.  His is author of 81 papers in international peer-reviewed journals and 12 lectures at international meetings.

Molecular Docking Simulations – Molecular Dynamics – QSAR – De-novo design – DFT

Development of broad-spectrum coronavirus antiviral agents acting as allosteric modulators of the host protein sigma-1
Sviluppo di una piattaforma tecnologica per contrastare il rischio di fosfolipidosi nello sviluppo pre-clinico del farmaco
Sviluppo di una piattaforma tecnologica per l’identificazione di modulatori allosterici di S1R con potente attività anti sars-cov-2
NT-mINT:Structure-based identification of neurotrophines and pro- neurotrophines molecular interactors to target neurodegeneration and pain
Potentiating the Italian Capacity for Structural Biology Services in Instruct-ERIC
INhibiting Siderophore Production In REsistant Non Tuberculous Mycobacteria – an innovative strategy for the treatment of lung infections: Nontuberculous mycobacteria in cystic fibrosis (CF): scouting molecules against M. abscessus iron acquisition pathways
Sindrome di Shwachman-Diamond (SDS), una rara malattia genetica trascurata: studio conformazionale della proteina EFL1 e screening di piccole molecole organiche capaci di modulare la sua funzione
INSIDEL@b (In-silico molecular design laboratory)
Applicazione dell’intelligenza artificiale nel drug discovery
Sviluppo di modelli predittivi
Studi di dinamica molecolare di proteine
Approccio multidisciplinare per lo studio delle proteine ​​coinvolte nel meccanismo molecolare di una malattia rara come la Sindrome di Shwachman Diamond
Curriculum
DypB peroxidase for aflatoxin removal: New insights into the toxin degradation process

Mangini V, Rosini E, Caliandro R, Mangiatordi GF, Delre P, Sciancalepore AG, Pollegioni L, Haidukowski M, Mazzorana M, Sumarah MW, Renaud JB, Flaig R, Mulè G, Belviso BD, Loi M.

Chemosphere (2023) [IF=8.800]
ALPACA: A machine Learning Platform for Affinity and selectivity profiling of CAnnabinoids receptors modulators

Delre, Pietro; Contino, Marialessandra; Alberga, Domenico; Saviano, Michele; Corriero, Nicola; Mangiatordi, Giuseppe Felice

Computers in biology and medicine (2023) [IF=7.700]
Bioisosteric replacement based on 1,2,4-oxadiazoles in the discovery of 1H-indazole-bearing neuroprotective MAO B inhibitors

Rullo, Mariagrazia; La Spada, Gabriella; Miniero, Daniela Valeria; Gottinger, Andrea; Catto, Marco; Delre, Pietro; Mastromarino, Margherita; Latronico, Tiziana; Marchese, Sara; Mangiatordi, Giuseppe Felice; Binda, Claudia; Linusson, Anna; Liuzzi, Grazia Maria; Pisani, Leonardo

European journal of medicinal chemistry (2023) [IF=6.700]
Targeting Siderophore-Mediated Iron Uptake in M. abscessus: A New Strategy to Limit the Virulence of Non-Tuberculous Mycobacteria

Mori M.; Stelitano G.; Cazzaniga G.; Gelain A.; Tresoldi A.; Cocorullo M.; Roversi M.; Chiarelli L.R.; Tomaiuolo M.; Delre P.; Mangiatordi G.F.; Griego A.; Rizzello L.; Cassetta A.; Covaceuszach S.; Villa S.; Meneghetti F.

Pharmaceutics (2023) [IF=6.525]
New Insights into the Behavior of NHC-Gold Complexes in Cancer Cells

Augello, Giuseppa; Azzolina, Antonina; Rossi, Filomena; Prencipe, Filippo; Mangiatordi, Giuseppe Felice; Saviano, Michele; Ronga, Luisa; Cervello, Melchiorre; Tesauro, Diego

Pharmaceutics (2023) [IF=6.525]
GENERA: A Combined Genetic/Deep-Learning Algorithm for Multiobjective Target-Oriented De Novo Design

Lamanna, Giuseppe; Delre, Pietro; Marcou, Gilles; Saviano, Michele; Varnek, Alexandre; Horvath, Dragos; Mangiatordi, Giuseppe Felice

Journal of chemical information and modeling (2023) [IF=6.162]
Controlling the Binding Efficiency of Surface Confined Antibodies through the Design of Mixed Self-Assembled Monolayers

Sarcina, Lucia; Delre, Pietro; Graziano, Giovanni; Stefanachi, Angela; Blasi, Davide; Picca, Rosaria A.; Di Franco, Cinzia; Leonetti, Francesco; Scamarcio, Gaetano; Bollella, Paolo; Mangiatordi, Giuseppe F.; Macchia, Eleonora; Torsi, Luisa

Advanced materials interfaces (2023) [IF=5.400]
hERG stereoselective modulation by mexiletine-derived ureas: Molecular docking study, synthesis, and biological evaluation

Milani Gualtiero1, Budriesi Roberta2, Tavazzani Elisa3, Cavalluzzi Maria Maddalena1, Mattioli Laura Beatrice2, Miniero Daniela Valeria4, Delre Pietro5,6, Belviso Benny Danilo6, Denegri Marco3, Cuocci Corrado6, Rotondo Natalie Paola1, De Palma Annalisa4, Gualdani Roberta7, Caliandroro Rocco , Mangiatordi6, Giuseppe Felice6, Kumawat Amit8, Camilloni Carlo8, Priori Silvia3,9,10, Lentini Giovanni1

Archiv der Pharmazie (Weinh.) (2023) [IF=5.100]
A conformational rearrangement of the SARS-CoV-2 host protein sigma-1 is required for antiviral activity: insights from a combined in-silico/in-vitro approach

Abatematteo, Francesca Serena; Delre, Pietro; Mercurio, Ivan; Rezelj, Veronica V.; Siliqi, Dritan; Beaucourt, Stephanie; Lattanzi, Gianluca; Colabufo, Nicola Antonio; Leopoldo, Marcello; Saviano, Michele; Vignuzzi, Marco; Mangiatordi, Giuseppe Felice; Abate, Carmen

Scientific reports (Nature Publishing Group) (2023) [IF=4.997]
Endocannabinoid Degradation Enzyme Inhibitors as Potential Antipsychotics: A Medicinal Chemistry Perspective

Mangiatordi, Giuseppe Felice; Cavalluzzi, Maria Maddalena; Delre, Pietro; Lamanna, Giuseppe; Lumuscio, Maria Cristina; Saviano, Michele; Majoral, Jean Pierre; Mignani, Serge; Duranti, Andrea; Lentini, Giovanni

Biomedicines (2023) [IF=4.757]
Development of Riluzole Analogs with Improved Use-Dependent Inhibition of Skeletal Muscle Sodium Channels

Farinato, Alessandro; Cavalluzzi, Maria Maddalena; Altamura, Concetta; Campanale, Carmen; Laghetti, Paola; Saltarella, Ilaria; Delre, Pietro; Barbault, Arthur; Tarantino, Nancy; Milani, Gualtiero; Rotondo, Natalie Paola; Di Cesare Mannelli, Lorenzo; Ghelardini, Carla; Pierno, Sabata; Mangiatordi, Giuseppe Felice; Lentini, Giovanni; Desaphy, Jean François

ACS medicinal chemistry letters (2023) [IF=3.570]
Why a Diffusing Single-Molecule can be Detected in Few Minutes by a Large Capturing Bioelectronic Interface

Macchia, Eleonora; De Caro, Liberato; Torricelli, Fabrizio; Franco, Cinzia Di; Mangiatordi, Giuseppe Felice; Scamarcio, Gaetano; Torsi, Luisa

Advanced science (Weinheim) (2022) [IF=17.521]
Development of N-(1-Adamantyl)benzamides as Novel Anti-Inflammatory Multitarget Agents Acting as Dual Modulators of the Cannabinoid CB2 Receptor and Fatty Acid Amide Hydrolase

Intranuovo, Francesca; Brunetti, Leonardo; DelRe, Pietro; Mangiatordi, Giuseppe Felice; Stefanachi, Angela; Laghezza, Antonio; Niso, Mauro; Leonetti, Francesco; Loiodice, Fulvio; Ligresti, Alessia; Kostrzewa, Magdalena; Brea, Jose; Loza, Maria Isabel; Sotelo, Eddy; Saviano, Michele; Colabufo, Nicola Antonio; Riganti, Chiara; Abate, Carmen; Contino, Marialessandra

Journal of medicinal chemistry (2022) [IF=8.039]
A Comparative Molecular Dynamics Study of Selected Point Mutations in the Shwachman-Bodian-Diamond Syndrome Protein SBDS

Spinetti E.; Delre P.; Saviano M.; Siliqi D.; Lattanzi G.; Mangiatordi G.F.

International journal of molecular sciences (Online) (2022) [IF=6.208]
DeLA-Drug: A Deep Learning Algorithm for Automated Design of Druglike Analogues

Creanza, Teresa Maria; Lamanna, Giuseppe; Delre, Pietro; Contino, Marialessandra; Corriero, Nicola; Saviano, Michele; Mangiatordi, Giuseppe Felice; Ancona, Nicola

Journal of chemical information and modeling (2022) [IF=6.162]
Structural Characterization of the Full-Length Anti-CD20 Antibody Rituximab

Belviso B.D.; Mangiatordi G.F.; Alberga D.; Mangini V.; Carrozzini B.; Caliandro R.

Frontiers in Molecular Biosciences (2022) [IF=6.113]
Ligand-based prediction of hERG-mediated cardiotoxicity based on the integration of different machine learning techniques

Delre, Pietro; Lavado, Giovanna J.; Lamanna, Giuseppe; Saviano, Michele; Roncaglioni, Alessandra; Benfenati, Emilio; Mangiatordi, Giuseppe Felice; Gadaleta, Domenico

Frontiers in Pharmacology (2022) [IF=5.988]
CATMoS: Collaborative acute toxicity modeling suite

Mansouri, Kamel; Karmaus, Agnes L.; Fitzpatrick, Jeremy; Patlewicz, Grace; Pradeep, Prachi; Alberga, Domenico; Alepee, Nathalie; Allen, Timothy E.H.; Allen, Dave; Alves, Vinicius M.; Andrade, Carolina H.; Auernhammer, Tyler R.; Ballabio, Davide; Bell, Shannon; Benfenati, Emilio; Bhattacharya, Sudin; Bastos, Joyce V.; Boyd, Stephen; Brown, J. B.; Capuzzi, Stephen J.; Chushak, Yaroslav; Ciallella, Heather; Clark, Alex M.; Consonni, Viviana; Daga, Pankaj R.; Ekins, Sean; Farag, Sherif; Fedorov, Maxim; Fourches, Denis; Gadaleta, Domenico; Gao, Feng; Gearhart, Jeffery M.; Goh, Garett; Goodman, Jonathan M.; Grisoni, Francesca; Grulke, Christopher M.; Hartung, Thomas; Hirn, Matthew; Karpov, Pavel; Korotcov, Alexandru; Lavado, Giovanna J.; Lawless, Michael; Li, Xinhao; Luechtefeld, Thomas; Lunghini, Filippo; Mangiatordi, Giuseppe F.; Marcou, Gilles; Marsh, Dan; Martin, Todd; Mauri, Andrea; Muratov, Eugene N.; Myatt, Glenn J.; Nguyen, Dac Trung; Nicolotti, Orazio; Note, Reine; Pande, Paritosh; Parks, Amanda K.; Peryea, Tyler; Polash, Ahsan H.; Rallo, Robert; Roncaglioni, Alessandra; Rowlands, Craig; Ruiz, Patricia; Russo, Daniel P.; Sayed, Ahmed; Sayre, Risa; Sheils, Timothy; Siegel, Charles; Silva, Arthur C.; Simeonov, Anton; Sosnin, Sergey; Southall, Noel; Strickland, Judy; Tang, Yun; Teppen, Brian; Tetko, Igor V.; Thomas, Dennis; Tkachenko, Valery; Todeschini, Roberto; Toma, Cosimo; Tripodi, Ignacio; Trisciuzzi, Daniela; Tropsha, Alexander; Varnek, Alexandre; Vukovic, Kristijan; Wang, Zhongyu; Wang, Liguo; Waters, Katrina M.; Wedlake, Andrew J.; Wijeyesakere, Sanjeeva J.; Wilson, Dan; Xiao, Zijun; Yang, Hongbin; Zahoranszky-Kohalmi, Gergely; Zakharov, Alexey V.; Zhang, Fagen F.; Zhang, Zhen; Zhao, Tongan; Zhu, Hao; Zorn, Kimberley M.

Environmental health perspectives (2021) [IF=11.035]
Erratum: Catmos: Collaborative acute toxicity modeling suite

Mansouri, Kamel; Karmaus, Agnes; Fitzpatrick, Jeremy; Patlewicz, Grace; Pradeep, Prachi; Alberga, Domenico; Alepee, Nathalie; Allen, Timothy E.H.; Allen, Dave; Alves, Vinicius M.; Andrade, Carolina H.; Auernhammer, Tyler R.; Ballabio, Davide; Bell, Shannon; Benfenati, Emilio; Bhattacharya, Sudin; Bastos, Joyce V.; Boyd, Stephen; Brown, J. B.; Capuzzi, Stephen J.; Chushak, Yaroslav; Ciallella, Heather; Clark, Alex M.; Consonni, Viviana; Daga, Pankaj R.; Ekins, Sean; Farag, Sherif; Fedorov, Maxim; Fourches, Denis; Gadaleta, Domenico; Gao, Feng; Gearhart, Jeffery M.; Goh, Garett; Goodman, Jonathan M.; Grisoni, Francesca; Grulke, Christopher M.; Hartung, Thomas; Hirn, Matthew; Karpov, Pavel; Korotcov, Alexandru; Lavado, Giovanna J.; Lawless, Michael; Li, Xinhao; Luechtefeld, Thomas; Lunghini, Filippo; Mangiatordi, Giuseppe F.; Marcou, Gilles; Marsh, Dan; Martin, Todd; Mauri, Andrea; Muratov, Eugene N.; Myatt, Glenn J.; Nguyen, Dac Trung; Nicolotti, Orazio; Note, Reine; Pande, Paritosh; Parks, Amanda K.; Peryea, Tyler; Polash, Ahsan; Rallo, Robert; Roncaglioni, Alessandra; Rowlands, Craig; Ruiz, Patricia; Russo, Daniel; Sayed, Ahmed; Sayre, Risa; Sheils, Timothy; Siegel, Charles; Silva, Arthur C.; Simeonov, Anton; Sosnin, Sergey; Southall, Noel; Strickland, Judy; Tang, Yun; Teppen, Brian; Tetko, Igor V.; Thomas, Dennis; Tkachenko, Valery; Todeschini, Roberto; Toma, Cosimo; Tripodi, Ignacio; Trisciuzzi, Daniela; Tropsha, Alexander; Varnek, Alexandre; Vukovic, Kristijan; Wang, Zhongyu; Wang, Liguo; Waters, Katrina M.; Wedlake, Andrew J.; Wijeyesakere, Sanjeeva J.; Wilson, Dan; Xiao, Zijun; Yang, Hongbin; Zahoranszky-Kohalmi, Gergely; Zakharov, Alexey V.; Zhang, Fagen F.; Zhang, Zhen; Zhao, Tongan; Zhu, Hao; Zorn, Kimberley M.

Environmental health perspectives (2021) [IF=11.035]
Radiosynthesis and characterization of [18F]BS224: a next-generation TSPO PET ligand insensitive to the rs6971 polymorphism

Sang Hee Lee, Nunzio Denora, Valentino Laquintana, Giuseppe Felice Mangiatordi, Angela Lopedota, Antonio Lopalco, Annalisa Cutrignelli, Massimo Franco, Pietro Delre, In Ho Song, Hye Won Kim, Su Bin Kim, Hyun Soo Park, Kyungmin Kim, Seok-Yong Lee, Hyewon Youn, Byung Chul Lee & Sang Eun Kim

European journal of nuclear medicine and molecular imaging (Print) (2021) [IF=10.057]
More is always better than one: The n-terminal domain of the spike protein as another emerging target for hampering the sars-cov-2 attachment to host cells

Di Gaetano S.; Capasso D.; Delre P.; Pirone L.; Saviano M.; Pedone E.; Mangiatordi G.F.

International journal of molecular sciences (Print) (2021) [IF=6.208]
Silver (I) n-heterocyclic carbene complexes: A winning and broad spectrum of antimicrobial properties

Prencipe, Filippo; Zanfardino, Anna; Di Napoli, Michela; Rossi, Filomena; D’errico, Stefano; Piccialli, Gennaro; Mangiatordi, Giuseppe Felice; Saviano, Michele; Ronga, Luisa; Varcamonti, Mario; Tesauro, Diego

International journal of molecular sciences (Print) (2021) [IF=6.208]
Structure-Based Prediction of hERG-Related Cardiotoxicity: A Benchmark Study

Creanza T.M.; Delre P.; Ancona N.; Lentini G.; Saviano M.; Mangiatordi G.F.

Journal of chemical information and modeling (2021) [IF=6.162 ]
Surface plasmon resonance assay for label-free and selective detection of hiv-1 p24 protein

Sarcina, Lucia; Mangiatordi, Giuseppe Felice; Torricelli, Fabrizio; Bollella, Paolo; Gounani, Zahra; Österbacka, Ronald; Macchia, Eleonora; Torsi, Luisa

Biosensors (Basel) (2021) [IF=5.743]
17?-Hydroxysteroid Dehydrogenase Type 1 Inhibition: A Potential Treatment Option for Non-Small Cell Lung Cancer

Emanuele M. Gargano, Abdelrahman Mohamed, Ahmed S. Abdelsamie, Giuseppe F. Mangiatordi, Hanna Drzewiecka, Pawe? P. Jagodzi?ski, Arcangela Mazzini, Chris J. van Koppen, Matthias W. Laschke, Orazio Nicolotti, Angelo Carotti, Sandrine Marchais-Oberwinkler, Rolf W. Hartmann, and Martin Frotscher

ACS medicinal chemistry letters (2021) [IF=4.345]
Xanthenylacetic Acid Derivatives Effectively Target Lysophosphatidic Acid Receptor 6 to Inhibit Hepatocellular Carcinoma Cell Growth

Gnocchi, Davide; Cavalluzzi, Maria M.; Mangiatordi, Giuseppe F.; Rizzi, Rosanna; Tortorella, Cosimo; Spennacchio, Mauro; Lentini, Giovanni; Altomare, Angela; Sabbà, Carlo; Mazzocca, Antonio

ChemMedChem (Print) (2021) [IF=3.540]