A Survey on Computational Methods in Drug Discovery for Neurodegenerative Diseases

A Survey on Computational Methods in Drug Discovery for Neurodegenerative Diseases (44 views)

Vicidomini C, Fontanella F, D'Alessandro T, Roviello GN

Biomolecules, 2024 Oct; 14: 1330-1330.

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Paper type: Review Journal Article

Impact factor: 4.8, 5-year impact factor: 0

Url: https://www.mdpi.com/2218-273X/14/10/1330

Keywords: Neurodegeneration, Neurodrugs, Machine Learning, Molecular Docking, Artificial Intelligence, Drug Discovery, Alzheimer’s Disease, Parkinson’s Diseases

Affiliations:
*** IBB - CNR ***

Caterina Vicidomini
1 ,

Francesco Fontanella

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A Survey on Computational Methods in Drug Discovery for Neurodegenerative Diseases

Currently, the age structure of the world population is changing due to declining birth rates and increasing life expectancy. As a result, physicians worldwide have to treat an increasing number of age-related diseases, of which neurological disorders represent a significant part. In this context, there is an urgent need to discover new therapeutic approaches to counteract the effects of neurodegeneration on human health, and computational science can be of pivotal importance for more effective neurodrug discovery. The knowledge of the molecular structure of the receptors and other biomolecules involved in neurological pathogenesis facilitates the design of new molecules as potential drugs to be used in the fight against diseases of high social relevance such as dementia, Alzheimer’s disease (AD) and Parkinson’s disease (PD), to cite only a few. However, the absence of comprehensive guidelines regarding the strengths and weaknesses of alternative approaches creates a fragmented and disconnected field, resulting in missed opportunities to enhance performance and achieve successful applications. This review aims to summarize some of the most innovative strategies based on computational methods used for neurodrug development. In particular, recent applications and the state-of-the-art of molecular docking and artificial intelligence for ligand- and target-based approaches in novel drug design were reviewed, highlighting the crucial role of in silico methods in the context of neurodrug discovery for neurodegenerative diseases.

A Survey on Computational Methods in Drug Discovery for Neurodegenerative Diseases

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A Survey on Computational Methods in Drug Discovery for Neurodegenerative Diseases

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Cipriano L, Minino R, Liparoti M, Polverino A, Romano A, Bonavita S, Pirozzi MA, Quarantelli M, Jirsa V, Sorrentino G, Sorrentino P, Troisi Lopez E
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Quarantelli M
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Autiero I, Roviello GN
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Berisio R, Delogu G
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Greco F, Falanga AP, Terracciano M, D , #xambrosio C, Piccialli G, Oliviero G, Roviello GN, Borbone N
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Greco F, Musumeci D, Borbone N, Falanga AP, D , #xerrico S, Terracciano M, Piccialli I, Roviello GN, Oliviero G
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Roviello V, Gilhen-baker M, Vicidomini C, Roviello GN
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Mainenti PP, Stanzione A, Cuocolo R, Del G, R , Danzi R, Romeo V, Raffone A, Di Psiezio A, Giordano E, Travaglino E, Insavato L, Scaglione M, Maurea S, Brunetti A
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Scognamiglio PL, Vicidomini C, Fontanella F, De Stefano C, Palumbo R, Roviello GN
* Protein Binding of Benzofuran Derivatives: A CD Spectroscopic and In Silico Comparative Study of the Effects of 4-Nitrophenyl Functionalized Benzofurans and Benzodifurans on BSA Protein Structure (157 views)
Biomolecules (ISSN: 2218-273xlinking), 2022 Feb; 12(2): 262-273.
Impact Factor: 6.064
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Roviello V, Scognamiglio PL, Caruso U, Vicidomini C, Roviello GN
* Evaluating In Silico the Potential Health and Environmental Benefits of Houseplant Volatile Organic Compounds for an Emerging 'Indoor Forest Bathing' Approach (238 views)
Int J Environ Res Public Health (ISSN: 1660-4601linking), 2022 Jan 16; 19(1): 273-273.
Impact Factor: 3.39
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Megna R, Petretta M, Assante R, Zampella E, Nappi C, Gaudieri V, Mannarino T, D , #antonio A, Green R, Cantoni V, Arumugam P, Acampa W, Cuocolo A
* A Comparison among Different Machine Learning Pretest Approaches to Predict Stress-Induced Ischemia at PET/CT Myocardial Perfusion Imaging (151 views)
Comput Math Methods Med (ISSN: 1748-670xlinking), 2021 Nov 27; 2021: 3551756-3551756.
Impact Factor: 2.238
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Platella C, Gaglione R, Napolitano E, Arciello A, Pirota V, Doria F, Musumeci D, Montesarchio D
* DNA Binding Mode Analysis of a Core-Extended Naphthalene Diimide as a Conformation-Sensitive Fluorescent Probe of G-Quadruplex Structures (163 views)
Int J Mol Sc (ISSN: 1422-0067linking, 1422-0067electronic), 2021 Sep 30; 22 (19 ): N/D-N/D.
Impact Factor: 2.598
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Pontillo G, Tommasin S, Cuocolo R, Petracca M, Petsas N, Ugga L, Carotenuto A, Pozzilli C, Iodice R, Lanzillo R, Quarantelli M, Brescia Morra V, Tedeschi E, Pantano P, Cocozza S
* A Combined Radiomics and Machine Learning Approach to Overcome the Clinicoradiologic Paradox in Multiple Sclerosis (140 views)
Am J Neuroradiol (ISSN: 0195-6108linking, 1936-959xelectronic), 2021 Sep 16; 42(11): 1927-1933.
Impact Factor: 3.825
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Stanzione A, Verde F, Romeo V, Boccadifuoco F, Mainenti PP, Maurea S
* Radiomics and machine learning applications in rectal cancer: Current update and future perspectives (156 views)
World J Gastroentero (ISSN: 1007-9327linking, 2219-2840), 2021 Aug 28; 27(32): 5306-5321.
Impact Factor: 3.665
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Perrella F, Coppola F, Petrone A, Platella C, Montesarchio D, Stringaro A, Ravagnan G, Fuggetta MP, Rega N, Musumeci D
* Interference of Polydatin/Resveratrol in the ACE2: Spike Recognition during COVID-19 Infection. A Focus on Their Potential Mechanism of Action through Computational and Biochemical Assays (211 views)
Biomolecules (ISSN: 2218-273xlinking), 2021 Jul 16; 11(7): N/D-N/D.
Impact Factor: 4.57
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Roviello V, Musumeci D, Mokhir A, Roviello GN
* Evidence of Protein Binding by a Nucleopeptide Based on a Thyminedecorated L-Diaminopropanoic Acid through CD and In Silico Studies (193 views) (PDF 47 views)
Curr Med Chem (ISSN: 0929-8673linking, 1875-533xelectronic), 2021 Jul; 28(24): 5004-5015.
Impact Factor: 4.53
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Caminiti SP, Sala A, Presotto L, Chincarini A, Sestini S, Perani D, Schillaci O, Berti V, Calcagni ML, Cistaro A, Morbelli S, Nobili F, Pappata S, Volterrani D, Gobbo CL
* Validation of FDG-PET datasets of normal controls for the extraction of SPM-based brain metabolism maps (143 views)
Eur J Nucl Med (ISSN: 1619-7070linking, 1619-7070print, 1619-7089electronic), 2021 Jul; 48(8): 2486-2499.
Impact Factor: 9.236
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Stanzione A, Cuocolo R, Verde F, Galatola R, Romeo V, Mainenti PP, Aprea G, Guadagno E, Del Basso De Caro M, Maurea S
* Handcrafted MRI radiomics and machine learning: Classification of indeterminate solid adrenal lesions (406 views)
Magn Reson Imaging (ISSN: 0730-725xlinking), 2021 Jun; 79: 52-58.
Impact Factor: 3.635
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Farina B, Andrea C, Del Gatto A, Comegna D, Di Gaetano S, Capasso D, Paladino A, Acconcia C, Teresa Gentile M, Saviano M, Fattorusso R, Zaccaro L, Russo L
* A novel approach for studying receptor-ligand interactions on living cells surface by using NUS/T1ρ-NMR methodologies combined with computational techniques: The RGDechi15D-α(v)β(5) integrin complex (179 views)
Comput Struct Biotechnol J (ISSN: 2001-0370linking), 2021 May 29; 19: 3303-3318.
Impact Factor: 7.271
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Moreira M, Ruggiero A, Iaccarino E, Barra G, Sandomenico A, Ruvo M, Berisio R
* A structure-based approach for the development of a bicyclic peptide acting as a miniaturized anti-CD55 antibody (227 views) (PDF 44 views)
Int J Biol Macromol (ISSN: 0141-8130linking, 1879-0003electronic), 2021 May 17; 182: 1455-1462.
Impact Factor: 6.95
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Ricciardi C, Cuocolo R, Megna R, Cesarelli M, Petretta M
* Machine learning analysis: general features, requirements and cardiovascular applications (187 views)
Minerva Cardiol Angiol (ISSN: 2724-5772linking, 2724-5683linking), 2021 May 4; N/D: N/D-N/D.
Impact Factor: 0.713
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Stanzione A, Cuocolo R, Del Grosso R, Nardiello A, Romeo V, Travaglino A, Raffone A, Bifulco G, Zullo F, Insabato L, Maurea S, Mainenti PP
* Deep Myometrial Infiltration of Endometrial Cancer on MRI: A Radiomics-Powered Machine Learning Pilot Study (101 views)
Acad Radiol (ISSN: 1076-6332linking, 1878-4046electronic), 2021 May; 28(5): 737-744.
Impact Factor: 2.488
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Marasco D, Vicidomini C, Krupa P, Cioffi F, Pham DQH, Li MS, Florio D, Broersen K, De Pandis MF, Roviello GN
* Plant isoquinoline alkaloids as potential neurodrugs: A comparative study of the effects of benzo[c]phenanthridine and berberine based compounds on β-amyloid aggregation (278 views)
Chem Biol Interact (ISSN: 0009-2797linking), 2021 Jan 25; 334: 109300-109301.
Impact Factor: 5.192
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Balsano C, Alisi A, Brunetto MR, Invernizzi P, Burra P, Piscaglia F
* The application of artificial intelligence in hepatology: A systematic review (111 views)
Dig Liver Dis (ISSN: 1590-8658linking), 2021; N/D: N/D-N/D.
Impact Factor: 2.719
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Monti A, Sturlese M, Caporale A, Roger JA, Mascanzoni F, Ruvo M, Doti N
* Design, synthesis, structural analysis and biochemical studies of stapled AIF(370-394) analogues as ligand of CypA (174 views)
Bba-Gen Subjects (ISSN: 0304-4165linking, 0005-2728, 0006-3002print), 2020 Dec; 1864(12): 129717-129717.
Impact Factor: 3.422
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Stanzione A, Ricciardi C, Cuocolo R, Romeo V, Petrone J, Sarnataro M, Mainenti PP, Improta G, De Rosa F, Insabato L, Brunetti A, Maurea S
* MRI Radiomics for the Prediction of Fuhrman Grade in Clear Cell Renal Cell Carcinoma: a Machine Learning Exploratory Study (84 views)
J Digit Imaging (ISSN: 0897-1889linking), 2020 Aug; 33(4): 879-887.
Impact Factor: 3.697
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Rendina A, Drongitis D, Donizetti A, Fucci L, Milan G, Tripodi F, Giustezza F, Postiglione A, Pappata S, Ferrari R, Bossù P, Angiolillo A, Di Costanzo A, Caiazzo M, Vitale E
* CD33 and SIGLECL1 Immunoglobulin Superfamily Involved in Dementia (182 views)
J Neuropathol Exp Neurol (ISSN: 0022-3069linking), 2020 Jul 10; 79(8): 891-901.
Impact Factor: 3.51
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Montanari R, Capelli D, Yamamoto K, Awaishima H, Nishikata K, Barendregt A, Heck AJR, Loiodice F, Altieri F, Paiardini A, Grottesi A, Pirone L, Pedone E, Peiretti F, Brunel JM, Itoh T, Pochetti G
* Insights into PPARγ Phosphorylation and Its Inhibition Mechanism (351 views)
J Med Chem (ISSN: 0022-2623linking, 0022-2623print, 1520-4804), 2020 May 14; 63(9): 4811-4823.
Impact Factor: 6.205
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Fik-jaskółkaa MA, Mkrtchyand AF, Saghyand AS, Palumbo R, Belter A, Hayriyand LA, Simonyane H, Roviello V, Roviello GN
* Biological macromolecule binding and anticancer activity of synthetic alkyne-containing L-phenylalanine derivatives (288 views)
Amino Acids (ISSN: 0939-4451linking, 1438-2199electronic), 2020 May; 52(5): 755-769.
Impact Factor: 3.063
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Pelliccia S, Amato J, Capasso D, Di Gaetano S, Massarotti A, Piccolo M, Irace C, Tron GC, Pagano B, Randazzo A, Novellino E, Giustiniano M
* Bio-Inspired Dual-Selective BCL-2/c-MYC G-Quadruplex Binders: Design, Synthesis, and Anticancer Activity of Drug-like Imidazo[2, 1-i]purine Derivatives (279 views)
J Med Chem (ISSN: 0022-2623linking, 0022-2623print, 1520-4804), 2020 Mar 12; 63(5): 2035-2050.
Impact Factor: 6.205
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Dubbioso R, Ruggiero L, Esposito M, Tarantino P, De Angelis M, Aruta F, Pappata S, Ugga L, Piperno A, Iorio R, Santoro L, Iodice R, Manganelli F
* Different cortical excitability profiles in hereditary brain iron and copper accumulation (258 views)
Neurol Sci (ISSN: 1590-1874linking, 1590-3478), 2020 Mar; 41(3): 679-685.
Impact Factor: 1.315
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Romeo V, Ricciardi C, Cuocolo R, Stanzione A, Verde F, Sarno L, Improta G, Mainenti PP, D'Armiento M, Brunetti A, Maurea S
* Machine learning analysis of MRI-derived texture features to predict placenta accreta spectrum in patients with placenta previa (197 views)
Magn Reson Imaging (ISSN: 0730-725xlinking), 2019 Dec; 64: 71-76.
Impact Factor: 2.037
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Megna R, Cuocolo A, Petretta M
* Applications of Machine Learning in Medicine (254 views)
Biomedical Journal Of Scientific & Technical Research, 2019 Aug 22; 20: 15350-15352.
Impact Factor: 0.548
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Mercurio FA, Di Natale C, Pirone L, Marasco D, Calce E, Vincenzi M, Pedone EM, De Luca S, Leone M
* Design and analysis of EphA2-SAM peptide ligands: A multi-disciplinary screening approach (357 views)
Bioorg Chem (ISSN: 0045-2068linking, 1090-2120electronic), 2019 Mar; 84: 434-443.
Impact Factor: 3.929
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Barone R, Alaimo S, Messina M, Pulvirenti A, Bastin J, Group MIMIC-A, F , Frye RE, Rizzo (mimic-ag A, Fiumara R, Meli C, Gulisano M, Maugeri F, Prato A, Russo G, Tabbì G
* A Subset of Patients With Autism Spectrum Disorders Show a Distinctive Metabolic Profile by Dried Blood Spot Analyses (317 views) (PDF 114 views)
Front Psychiatry (ISSN: 1664-0640linking, 1664-0640electronic), 2018 Dec 7; 9: 636-636.
Impact Factor: 2.857
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Spampinato SF, Copani A, Nicoletti F, Sortino MA, Caraci F
* Metabotropic Glutamate Receptors in Glial Cells: A New Potential Target for Neuroprotection? (650 views)
Front Mol Neurosci (ISSN: 1662-5099, 1662-5099linking, 1662-5099electronic), 2018 Nov 13; 11: 414-414.
Impact Factor: 3.902
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Sacco M, Lancellotti S, Berruti F, Arcovito A, Bellelli A, Ricciardelli T, Autiero I, Cavallo L, Oliva R, De Cristofaro R
Apixaban Interacts with Haemoglobin: Effects on Its Plasma Levels (49 views)
Thromb Haemost (ISSN: 0340-6245linking), 2018 Oct; 118 (10 ): 1701-1712.
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Sbardella D, Tundo GR, Coletta A, Marcoux J, Koufogeorgou EI, Ciaccio C, Santoro AM, Milardi D, Grasso G, Cozza P, Bousquet-dubouch MP, Marini S, Coletta M
* The insulin-degrading enzyme is an allosteric modulator of the 20S proteasome and a potential competitor of the 19S (425 views) (PDF 127 views)
Cell Mol Life Sci (ISSN: 1420-9071electronic, 1420-682xlinking), 2018 Sep; 75(18): 3441-3456.
Impact Factor: 7.047
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Romeo V, Maurea S, Cuocolo R, Petretta M, Mainenti PP, Verde F, Coppola M, Dell'Aversana S, Brunetti A
* Characterization of Adrenal Lesions on Unenhanced MRI Using Texture Analysis: A Machine-Learning Approach (346 views)
J Magn Reson Imaging (ISSN: 1522-2586electronic, 1053-1807linking), 2018 Jul; 48(1): 198-204.
Impact Factor: 1.302
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Farina B, Sturlese M, Mascanzoni F, Caporale A, Monti A, Sorbo GD, Fattorusso R, Ruvo M, Doti N
* Binding mode of AIF(370–394) peptide to CypA: insights from NMR, label-free and molecular docking studies (1916 views)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2018; 475(14): 2377-2393.
Impact Factor: 4.897
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Brancaccio D, Diana D, Di Maro S, Di Leva FS, Tomassi S, Fattorusso R, Russo L, Scala S, Trotta AM, Portella L, Novellino E, Marinelli L, Carotenuto A
* Ligand-Based NMR Study of C-X-C Chemokine Receptor Type 4 (CXCR4)-Ligand Interactions on Living Cancer Cells (1282 views)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2018; 61(7): 2910-2923.
Impact Factor: 5.207
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Oliveri V, Zimbone S, Giuffrida ML, Bellia F, Tomasello MF, Vecchio G
* Porphyrin Cyclodextrin Conjugates Modulate Amyloid Beta Peptide Aggregation and Cytotoxicity (688 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2018; 24(24): 6349-6353.
Impact Factor: 5.476
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Comegna D, Zannetti A, Del Gatto A, De Paola I, Russo L, Di Gaetano S, Liguoro A, Capasso D, Saviano M, Zaccaro L
* Chemical Modification for Proteolytic Stabilization of the Selective alphavbeta3 Integrin RGDechi Peptide: in Vitro and in Vivo Activities on Malignant Melanoma Cells (1054 views) (PDF 234 views)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2017 Dec 14; 60(23): 9874-9884.
Impact Factor: 6.253
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Squeglia F, Romano M, Ruggiero A, Berisio R
* Molecular players in Tuberculosis drug development: another break in the cell wall (492 views)
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2017 Nov 24; 24(36): 3954-3969.
Impact Factor: 3.469
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Sciacca MFM, Romanucci V, Zarrelli A, Monaco I, Lolicato F, Spinella N, Galati C, Grasso G, D'Urso L, Romeo M, Diomede L, Salmona M, Bongiorno C, Di Fabio G, La Rosa C, Milardi D
* Inhibition of Abeta Amyloid Growth and Toxicity by Silybins: The Crucial Role of Stereochemistry (492 views) (PDF 220 views)
Acs Chem Neurosci (ISSN: 1948-7193, 1948-7193electronic), 2017 Jun 09; N/D: N/D-N/D.
Impact Factor: 4.211
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Grasso G, Santoro AM, Lanza V, Sbardella D, Tundo GR, Ciaccio C, Marini S, Coletta M, Milardi D
* The double faced role of copper in Ab homeostasis: A survey on the interrelationship between metal dyshomeostasis, UPS functioning and autophagy in neurodegeneration (384 views)
Coordination Chemistry Reviews, 2017 Jun; N/D: 1-22.
Impact Factor: 13.324
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Brunò E, Buemi MR, Di Fiore A, De LucaL, Ferro S, Angeli A, Cirilli R, Sadutto D, Alterio V, Monti SM, Supuran CT, De Simone G, Gitto R
* Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides (541 views)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2017 May 25; 60(10): 4316-4326.
Impact Factor: 6.253
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Florenzano F, Veronica C, Ciasca G, Ciotti MT, Pittaluga A, Olivero G, Feligioni M, Iannuzzi F, Latina V, Sciacca MFM, Sinopoli A, Milardi D, Pappalardo G, De Spirito M, Papi M, Atlante A, Bobba A, Borreca A, Calissano P, Amadoro G
* Extracellular truncated tau causes early presynaptic dysfunction associated with Alzheimer's disease and other tauopathies (343 views)
Oncotarget (ISSN: 1949-2553electronic, 1949-2553linking), 2017 Apr 22; N/D: N/D-N/D.
Impact Factor: 5.168
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Caraci F, Bruno V, Copani A, Matrisciano F, Nicoletti F, Battaglia G
* The impact of metabotropic glutamate receptors into active neurodegenerative processes: A "dark side" in the development of new symptomatic treatments for neurologic and psychiatric disorders (394 views)
Neuropharm (ISSN: 0028-3908, 1873-7064electronic, 0028-3908linking), 2017 Mar 15; 115: 180-192.
Impact Factor: 5.012
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Di Matteo A, Franceschini M, Paiardini A, Grottesi A, Chiarella S, Rocchio S, Di Natale C, Marasco D, Vitagliano L, Travaglini-allocatelli C, Federici L
* Structural investigation of Nucleophosmin interaction with the tumor suppressor Fbw7γ (458 views)
Oncogenesis (ISSN: 2157-9024), 2017; 6(9): N/D-N/D.
Impact Factor: 4.722
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D'Andrea LD, Rosa LD, Vigliotti C, Cataldi M
* VEGF mimic peptides: Potential applications in central nervous system therapeutics (993 views)
New Horizons Transl Med (ISSN: 2307-5023), 2017; 3(5): 233-251.
Impact Factor: 0
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Calvanese L, D'Auria G, Vangone A, Falcigno L, Oliva R
* Analysis of the interface variability in NMR structure ensembles of protein-protein complexes (494 views)
J Struct Biol (ISSN: 1047-8477, 1047-8477linking), 2016 Jun; 194(3): 317-324.
Impact Factor: 2.767
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Farina B, De Paola I, Russo L, Capasso D, Liguoro A, Gatto AD, Saviano M, Pedone PV, Di Gaetano S, Malgieri G, Zaccaro L, Fattorusso R
* A Combined NMR and Computational Approach to Determine the RGDechi-hCit-alphav beta3 Integrin Recognition Mode in Isolated Cell Membranes (867 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2016 Jan 11; 22(2): 681-693.
Impact Factor: 5.317
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Oliveri V, Bellia F, Grasso GI, Pietropaolo A, Vecchio G
* Trehalose-8-hydroxyquinoline conjugates as antioxidant modulators of Aβ aggregation (1019 views)
Rsc Adv (ISSN: 2046-2069, 2046-2069electronic), 2016; 6(53): 47229-47236.
Impact Factor: 3.108
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Moroni E, Paladino A, Colombo G
The Dynamics of Drug Discovery (46 views)
Curr Top Med Chem (ISSN: 1568-0266linking), 2015 May 18; 15 (20 ): 2043-2055.
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Pacelli R, Oh JH, Deasy JO, Conson M, D'Avino V, Picardi M, Pressello MC, Boboc G, Battistini R, Donato V, Cella L
* Machine learning-based prediction of late radiation induced lung toxicity in Hodgkin's lymphoma survivors (327 views)
Radiother Oncol (ISSN: 0167-8140, 1879-0887, 0167-8140linking), 2015 Apr 01; 115: 473-473.
Impact Factor: 4.817
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Brancaccio D, Merlino F, Limatola A, Yousif AM, Gomez-Monterrey I, Campiglia P, Novellino E, Grieco P, Carotenuto A
* An investigation into the origin of the biased agonism associated with the urotensin II receptor activation (587 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617linking), 2015 Feb 19; 21(5): 392-399.
Impact Factor: 1.951
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Calvanese L, Sandomenico A, Caporale A, Foca A, Foca G, D'Auria G, Falcigno L, Ruvo M
* Conformational features and binding affinities to Cripto, ALK7 and ALK4 of Nodal synthetic fragments (613 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617linking), 2015 Jan 15; 21(4): 283-293.
Impact Factor: 1.951
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D'Ambrosio K, Carradori S, Monti SM, Buonanno M, Secci D, Vullo D, Supuran CT, De Simone G
* Out of the active site binding pocket for carbonic anhydrase inhibitors (683 views) (PDF 264 views)
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2015 Jan 7; 51(2): 302-305.
Impact Factor: 6.567
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Merlo S, Basile L, Giuffrida ML, Sortino MA, Guccione S, Copani A
* Identification of 5-Methoxyflavone as a Novel DNA Polymerase-Beta Inhibitor and Neuroprotective Agent against Beta-Amyloid Toxicity (418 views)
J Nat Prod (ISSN: 0163-3864), 2015; 78(11): 2704-2711.
Impact Factor: 3.662
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Caso JV, Russo L, Palmieri M, Malgieri G, Galdiero S, Falanga A, Isernia C, Iacovino R
* Investigating the inclusion properties of aromatic amino acids complexing beta-cyclodextrins in model peptides (544 views)
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2015; N/D: N/D-N/D.
Impact Factor: 3.196
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Russo L, Palmieri M, Caso JV, Abrosca GD, Diana D, Malgieri G, Baglivo I, Isernia C, Pedone PV, Fattorusso R
* Towards understanding the molecular recognition process in prokaryotic zinc-finger domain (929 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015; 91: 100-108.
Impact Factor: 3.902
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Correale S, de Paola I, Morgillo CM, Federico A, Zaccaro L, Pallante P, Galeone A, Fusco A, Pedone E, Luque FJ, Catalanotti B
* Structural Model of the hUbA1-UbcH10 Quaternary Complex: In Silico and Experimental Analysis of the Protein-Protein Interactions between E1, E2 and Ubiquitin (735 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2014 Nov 6; 9(11): e112082-e112082.
Impact Factor: 3.234
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Mercurio FA, Scognamiglio PL, Di Natale C, Marasco D, Pellecchia M, Leone M
* Cd And Nmr Conformational Studies Of A Peptide Encompassing The Mid Loop Interface Of Ship2-Sam (477 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2014 Nov; 101(11): 1088-1098.
Impact Factor: 2.385
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Pappalardo M, Shachaf N, Basile L, Milardi D, Zeidan M, Raiyn J, Guccione S, Rayan A
* Sequential Application of Ligand and Structure Based Modeling Approaches to Index Chemicals for Their hH(4)R Antagonism (525 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2014 Oct 16; 9(10): e109340-e109340.
Impact Factor: 3.234
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Salvatore E, Tedeschi E, Mollica C, Vicidomini C, Varrone A, Coda ARD, Brunetti A, Salvatore M, De Michele G, Filla A, Pappata S
* Supratentorial and infratentorial damage in spinocerebellar ataxia 2: a diffusion-weighted MRI study (496 views)
Mov Disord (ISSN: 0885-3185, 1531-8257, 0885-3185linking), 2014 May; 29(6): 780-786.
Impact Factor: 5.68
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D'Ambrosio K, Lopez M, Dathan NA, Ouahrani-bettache S, Köhler S, Ascione G, Monti SM, Winum JY, De Simone G
* Structural basis for the rational design of new anti-Brucella agents: The crystal structure of the C366S mutant of l-histidinol dehydrogenase from Brucella suis (584 views)
Biochimie (ISSN: 0300-9084, 1638-6183, 0300-9084linking), 2014 Feb; 97(1): 114-120.
Impact Factor: 2.963
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Hayafune M, Berisio R, Marchetti R, Silipo A, Kayama M, Desaki Y, Arima S, Squeglia F, Ruggiero A, Tokuyasu K, Molinaro A, Kaku H, Shibuya N
* Chitin-induced activation of immune signaling by the rice receptor CEBiP relies on a unique sandwich-type dimerization (1780 views)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2014 Jan 21; 111(3): E404-E404.
Impact Factor: 9.674
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Bellia F, Vecchio G, Rizzarelli E
* Carnosine and Cognitive Deficits (259 views)
Diet And Nutr In Dement And Cogn Decline (ISSN: 9780-1240793979780124078246), 2014; N/D: 973-982.
Impact Factor: 0
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Doti N, Raimondo D, Sabatella M, Ruvo M
* Identification of Protease Inhibitors by a Fast Fluorimetric Assay (861 views)
Mol Biotechnol (ISSN: 1073-6085, 1559-0305electronic, 1073-6085linking), 2013 Jun; 54(2): 283-291.
Impact Factor: 2.275
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Mercurio FA, Marasco D, Pirone L, Scognamiglio PL, Pedone E, Pellecchia M, Leone M
* Heterotypic Sam-Sam Association Between Odin-Sam1 And Arap3-Sam: Binding Affinity And Structural Insights (601 views)
Chembiochem (ISSN: 1439-4227, 1439-9422, 1439-7633), 2013 Jan 2; 14(1): 100-106.
Impact Factor: 2.92
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Bellia F, Pietropaolo A, Grasso G
* Formation of insulin fragments by insulin-degrading enzyme: The role of zinc(II) and cystine bridges (632 views)
J Mass Spectrom (ISSN: 1076-5174, 1096-9888), 2013; 48(2): 135-140.
Impact Factor: 2.709
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Grasso G, Salomone F, Tundo GR, Pappalardo G, Ciaccio C, Spoto G, Pietropaolo A, Coletta M, Rizzarelli E
* Metal ions affect insulin-degrading enzyme activity (708 views)
J Chem Res (ISSN: 1873-3344, 0162-0134, 0162-0134print), 2012 Dec; 117: 351-358.
Impact Factor: 3.197
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Caraci F, Battaglia G, Sortino MA, Spampinato S, Molinaro G, Copani A, Nicoletti F, Bruno V
* Metabotropic glutamate receptors in neurodegeneration/neuroprotection: Still a hot topic? (943 views)
Neurochem Int (ISSN: 0197-0186), 2012 Sep; 61(4): 559-565.
Impact Factor: 2.659
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Santoro AM, Lo Giudice MC, D'Urso A, Lauceri R, Purrello R, Milardi D
* Cationic porphyrins are reversible proteasome inhibitors (670 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2012 Jun 27; 134(25): 10451-10457.
Impact Factor: 10.677
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Alterio V, Langella E, Viparelli F, Vullo D, Ascione G, Dathan NA, Morel FM, Supuran CT, De Simone G, Monti SM
* Structural and inhibition insights into carbonic anhydrase CDCA1 from the marine diatom Thalassiosira weissflogii (635 views)
Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic), 2012 May; 94(5): 1232-1241.
Impact Factor: 3.142
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Sharma A, Gautam V, Costantini S, Paladino A, Colonna G
Interactomic and pharmacological insights on human sirt-1 (23 views)
Front Pharmacol (ISSN: 1663-9812linking), 2012 Mar 23; 3: 40-40.
Impact Factor:
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Mercurio FA, Marasco D, Pirone L, Pedone E, Pellecchia M, Leone M
* Solution Structure of the First Sam Domain of Odin and Binding Studies with the EphA2 Receptor (621 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2012 Mar 13; 51(10): 2136-2145.
Impact Factor: 3.377
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Arena G, Fattorusso R, Grasso G, Grasso GI, Isernia C, Malgieri G, Milardi D, Rizzarelli E
* Zinc(II) complexes of ubiquitin: speciation, affinity and binding features (837 views)
Chemistry (ISSN: 1521-3765, 0947-6539, 1521-3765electronic), 2011 Oct 4; 17(41): 11596-11603.
Impact Factor: 5.925
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Bellia F, Vecchio G, Cuzzocrea S, Calabrese V, Rizzarelli E
* Neuroprotective features of carnosine in oxidative driven diseases (754 views)
Molecular Aspects Of Medicine (ISSN: 1872-9452, 0098-2997), 2011 Sep; 32(4-6): 258-266.
Impact Factor: 9.97
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Troise F, Monti M, Merlino A, Cozzolino F, Fedele C, Russo Krauss I, Sica F, Pucci P, D'Alessio G, De Lorenzo C
* A novel ErbB2 epitope targeted by human antitumor immunoagents (527 views)
Febs Journal (ISSN: 1742-464x), 2011 Apr; 278(7): 1156-1166.
Impact Factor: 3.79
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Calvanese L, Marasco D, Doti N, Saporito A, D'Auria G, Paolillo L, Ruvo M, Falcigno L
* Structural Investigations on the Nodal-Cripto Binding: A Theoretical and Experimental Approach (679 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2010 Nov; 93(11): 1011-1021.
Impact Factor: 2.572
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Limauro D, D'Ambrosio K, Langella E, De Simone G, Galdi I, Pedone C, Pedone E, Bartolucci S
* Exploring the catalytic mechanism of the first dimeric Bcp: Functional, structural and docking analyses of Bcp4 from Sulfolobus solfataricus (591 views)
Biochimie (ISSN: 1638-6183, 0300-9084, 1638-6183electronic), 2010 Oct; 92(10): 1435-1444.
Impact Factor: 3.787
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Leone M, Barile E, Vazquez J, Mei A, Guiney D, Dahl R, Pellecchia M
* NMR-based design and evaluation of novel bidentate inhibitors of the protein tyrosine phosphatase YopH (901 views)
Chem Biol Drug Des (ISSN: 1747-0277, 1747-0285), 2010 Jul; 76(1): 10-16.
Impact Factor: 2.527
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La Mendola D, Pietropaolo A, Pappalardo G, Zannoni C, Rizzarelli E
* Prion Proteins Leading to Neurodegeneration (vol 5, pg 579, 2008) (353 views)
Current Alzheimer Research (ISSN: 1567-2050), 2009 Jun; 6(3): N/D-N/D.
Impact Factor: 4.971
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Calvanese L, Saporito A, Oliva R, D'Auria G, Pedone C, Paolillo L, Ruvo M, Marasco D, Falcigno L
* Structural insights into the interaction between the Cripto CFC domain and the ALK4 receptor (620 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Mar; 15(3): 175-183.
Impact Factor: 1.807
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Arpaia P, Clemente F, Manna C, Montenero G
* Automatic modeling based on cultural programming for osseointegration diagnosis (392 views)
Vols 1 3i2mtc (ISSN: 1091-5281), 2009; N/D: 1278-1283.
Impact Factor: 0
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La Mendola D, Pietropaolo A, Pappalardo G, Zannoni C, Rizzarelli E
* Prion proteins leading to neurodegeneration (541 views)
Current Alzheimer Research (ISSN: 1567-2050), 2008 Dec; 5(6): 579-590.
Impact Factor: 4.132
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Caraci F, Busceti C, Biagioni F, Aronica E, Mastroiacovo F, Cappuccio I, Battaglia G, Bruno V, Caricasole A, Copani A, Nicoletti
* The Wnt antagonist, Dickkopf-1, as a target for the treatment of neurodegenerative disorders (546 views)
Neurochemical Research (ISSN: 0364-3190, 1573-6903), 2008 Dec; 33(12): 2401-2406.
Impact Factor: 2.26
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Bellia F, Amorini AM, La Mendola D, Vecchio G, Tavazzi B, Giardina B, Di Pietro V, Lazzarino G, Rizzarelli E
* New glycosidic derivatives of histidine-containing dipeptides with antioxidant properties and resistant to carnosinase activity (729 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 1768-3254electronic), 2008 Feb; 43(2): 373-380.
Impact Factor: 2.882
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Copani A, Guccione S, Giurato L, Caraci F, Calafiore M, Sortino MA
* The cell cycle molecules behind neurodegeneration in Alzheimer's disease: Perspectives for drug development (615 views)
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2008; 15(24): 2420-2432.
Impact Factor: 4.823
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Ragno R, Simeoni S, Castellano S, Vicidomini C, Mai A, Caroli A, Tramontano A, Bonaccini C, Trojer P, Bauer I, Brosch G, Sbardella G
* Small molecule inhibitors of histone arginine methyltransferases: Homology modeling, molecular docking, binding mode analysis, and biological evaluations (1370 views)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2007 Mar 22; 50(6): 1241-1253.
Impact Factor: 4.895
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Acampa W, He W, di Nuzzo C, Cuocolo A
* Quantification of SPECT myocardial perfusion imaging (595 views)
J Nucl Cardiol (ISSN: 1071-3581, 1532-6551, 1532-6551electronic), 2002 May; 9(3): 338-342.
Impact Factor: 1.167
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Molko N, Pappata S, Mangin JF, Poupon C, Vahedi K, Jobert A, LeBihan D, Bousser MG, Chabriat H
* Diffusion tensor imaging study of subcortical gray matter in CADASIL (766 views)
Stroke (ISSN: 0039-2499), 2001 Sep; 32(9): 2049-2054.
Impact Factor: 5.33
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Vitiello M, Finamore E, Falanga A, Raieta K, Cantisani M, Galdiero F, Pedone C, Galdiero M, Galdiero S
* Fusion in Coq (596 views)
Lecture Notes In Computer Science (ISSN: 0302-9743, 0302-974335404636319783540463634, 0302-974335402975459783540297543), 2001; 2178LNCS: 583-596.
Impact Factor: 0.415
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97 Records (92 excluding Abstracts).
Total impact factor: 367.385 (349.178 excluding Abstracts).
Total 5 year impact factor: 334.17 (316.272 excluding Abstracts).

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