Molecular dynamics: New advances in drug discovery (385 views visite)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015; 91: 1-3.
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Paper type Tipo di articolo: Journal Article,
Impact factor: 3.902, 5-year impact factor Impact factor a 5 anni: 3.982
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-84921445214&partnerID=40&md5=9151ff22645203678d09196ee562f6f6
Keywords Parole chiave: Aciclovir, Amyloid, Antivirus Agent, Guanine Nucleotide Binding Protein, Phosphotransferase Inhibitor, Proteinase Inhibitor, Agrobacterium Tumefaciens, Alzheimer Disease, Dna Binding, Drug Design, Drug Development, Human, Medicinal Chemistry, Metabolism, Molecular Dynamics, Nonhuman, Nuclear Magnetic Resonance, Prion Disease, Protein Folding, Protein Interaction, Quantum Mechanics, Review, Smallpox Virus, X Ray, X Ray Crystallography,
Affiliations Affiliazioni:
*** IBB - CNR ***
National Research Council, Institute of Biostructures and Bioimages, Via Paolo Gaifami 18, Catania, Italy
University of Catania, Dipartimento di Scienze Chimiche, Viale Andrea Doria, 6, Catania, Italy
References Riferimenti:
Hoffmann, T., Metternich, R., The future of medicinal chemistry (2012) Angew. Chem. Int. Ed., 51, pp. 8670-867
Klebe, G., Virtual ligand screening: Strategies, perspectives and limitations (2006) Drug Discov. Today, 11, pp. 580-594
Mauser, H., Guba, W., Recent developments in de novo design and scaffold hopping (2008) Curr. Opin. Drug Discov. Devel., 11, pp. 365-374
Koppen, H., Virtual screening-what does it give us? (2009) Curr. Opin. Drug Discov. Devel., 12, pp. 397-407
Song, C.M., Lim, S.J., Tong, J.C., Recent advances in computer-aided drug design (2009) Brief. Bioinform., 10, pp. 579-591
Jorgensen, W.L., Efficient drug lead discovery and optimization (2009) Accounts Chem. Res., 42, pp. 724-733
Schneider, G., Clement-Chomienne, O., Hilfiger, L., Schneider, P., Kirsch, S., Bohm, H.J., Neidhart, W., Virtual screening for bioactive molecules by evolutionary de novo design (2000) Angew. Chem. Int. Ed., 39, pp. 4130-4133
Alvarez, J., Shoichet, B., (2005) Virtual Screening in Drug Discovery, , Taylor & Francis Boca Raton
McInnes, C., Virtual screening strategies in drug discovery (2007) Curr. Opin. Chem. Biol., 11, pp. 494-502
Totrov, M., Abagyan, R., Flexible ligand docking to multiple receptor conformations: A practical alternative (2008) Curr. Opin. Struct. Biol., 18, pp. 178-184
Sotriffer, C.A., Sanschagrin, P., Matter, H., Klebe, G., SFCscore: Scoring functions for affinity prediction of protein-ligand complexes (2008) Proteins, 73, pp. 395-419
Subramanian, J., Sharma, S.D., Managing protein flexibility in docking and its applications (2009) Drug Discov. Today, 14, pp. 394-400
Adcock, S.A., McCammon, J.A., Molecular dynamics: Survey of methods for simulating the activity of proteins (2006) Chem. Rev., 106, pp. 1589-1615
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015; 91: 1-3.
Export to Esporta in BibTeX Export to Esporta in EndNote
Paper type Tipo di articolo: Journal Article,
Impact factor: 3.902, 5-year impact factor Impact factor a 5 anni: 3.982
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-84921445214&partnerID=40&md5=9151ff22645203678d09196ee562f6f6
Keywords Parole chiave: Aciclovir, Amyloid, Antivirus Agent, Guanine Nucleotide Binding Protein, Phosphotransferase Inhibitor, Proteinase Inhibitor, Agrobacterium Tumefaciens, Alzheimer Disease, Dna Binding, Drug Design, Drug Development, Human, Medicinal Chemistry, Metabolism, Molecular Dynamics, Nonhuman, Nuclear Magnetic Resonance, Prion Disease, Protein Folding, Protein Interaction, Quantum Mechanics, Review, Smallpox Virus, X Ray, X Ray Crystallography,
Affiliations Affiliazioni:
*** IBB - CNR ***
National Research Council, Institute of Biostructures and Bioimages, Via Paolo Gaifami 18, Catania, Italy
University of Catania, Dipartimento di Scienze Chimiche, Viale Andrea Doria, 6, Catania, Italy
References Riferimenti:
Hoffmann, T., Metternich, R., The future of medicinal chemistry (2012) Angew. Chem. Int. Ed., 51, pp. 8670-867
Klebe, G., Virtual ligand screening: Strategies, perspectives and limitations (2006) Drug Discov. Today, 11, pp. 580-594
Mauser, H., Guba, W., Recent developments in de novo design and scaffold hopping (2008) Curr. Opin. Drug Discov. Devel., 11, pp. 365-374
Koppen, H., Virtual screening-what does it give us? (2009) Curr. Opin. Drug Discov. Devel., 12, pp. 397-407
Song, C.M., Lim, S.J., Tong, J.C., Recent advances in computer-aided drug design (2009) Brief. Bioinform., 10, pp. 579-591
Jorgensen, W.L., Efficient drug lead discovery and optimization (2009) Accounts Chem. Res., 42, pp. 724-733
Schneider, G., Clement-Chomienne, O., Hilfiger, L., Schneider, P., Kirsch, S., Bohm, H.J., Neidhart, W., Virtual screening for bioactive molecules by evolutionary de novo design (2000) Angew. Chem. Int. Ed., 39, pp. 4130-4133
Alvarez, J., Shoichet, B., (2005) Virtual Screening in Drug Discovery, , Taylor & Francis Boca Raton
McInnes, C., Virtual screening strategies in drug discovery (2007) Curr. Opin. Chem. Biol., 11, pp. 494-502
Totrov, M., Abagyan, R., Flexible ligand docking to multiple receptor conformations: A practical alternative (2008) Curr. Opin. Struct. Biol., 18, pp. 178-184
Sotriffer, C.A., Sanschagrin, P., Matter, H., Klebe, G., SFCscore: Scoring functions for affinity prediction of protein-ligand complexes (2008) Proteins, 73, pp. 395-419
Subramanian, J., Sharma, S.D., Managing protein flexibility in docking and its applications (2009) Drug Discov. Today, 14, pp. 394-400
Adcock, S.A., McCammon, J.A., Molecular dynamics: Survey of methods for simulating the activity of proteins (2006) Chem. Rev., 106, pp. 1589-1615
Molecular dynamics: New advances in drug discovery
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Molecular dynamics: New advances in drug discovery
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D'Abrosca G, Paladino A, Baglivo I, Russo L, Sassano M, Grazioso R, Iacovino R, Pirone L, Pedone E, Pedone P, Isernia C, Fattorusso R, Malgieri G
* Structural Insight of the Full-Length Ros Protein: A Prototype of the Prokaryotic Zinc-Finger Family (104 visite)
Sci Rep (ISSN: 2045-2322, 2045-2322linking), 2020 Jun 9; 10(1): 9283-9283.
Impact Factor: 4.011
Dettagli Esporta in BibTeX Esporta in EndNote
Galdiero S, Falanga A, Morelli G, Galdiero M
* gH625: A milestone in understanding the many roles of membranotropic peptides (469 visite)
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2015 Jan; 1848(PA): 16-25.
Impact Factor: 5.158
Dettagli Esporta in BibTeX Esporta in EndNote
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 (340 visite)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015; 91: 100-108.
Impact Factor: 3.902
Dettagli Esporta in BibTeX Esporta in EndNote
Rai M, Kon K, Ingle A, Duran N, Galdiero S, Galdiero M
* Broad-spectrum bioactivities of silver nanoparticles: the emerging trends and future prospects (646 visite)
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Impact Factor: 3.337
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* Tumors, IGF-2, and Hypoglycemia: Insights From the Clinic, the Laboratory, and the Historical Archive (1315 visite)
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Dettagli Esporta in BibTeX Esporta in EndNote
Lusso P, Vangelista L, Cimbro R, Secchi M, Sironi F, Longhi R, Faiella M, Maglio O, Pavone V
* Molecular engineering of RANTES peptide mimetics with potent anti-HIV-1 activity (545 visite)
Faseb J (ISSN: 0892-6638, 0892-6638linking), 2011 Apr; 25(4): 1230-1243.
Impact Factor: 5.712
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Palmieri G, Langella E, Gogliettino M, Saviano M, Pocsfalvi G, Rossi M
* A novel class of protease targets of phosphatidylethanolamine-binding proteins (PEBP): A study of the acylpeptide hydrolase and the PEBP inhibitor from the archaeon Sulfolobus solfataricus (339 visite)
Mol Biosyst (ISSN: 1742-206x), 2010; 6(12): 2498-2507.
Impact Factor: 3.825
Dettagli Esporta in BibTeX Esporta in EndNote
Palmieri G, Catara G, Saviano M, Langella E, Gogliettino M, Rossi M
* First archaeal PEPB-serine protease inhibitor from sulfolobus solfataricus with noncanonical amino acid sequence in the reactive-site loop (298 visite)
J Proteome Res (ISSN: 1535-3893), 2009 Jan; 8(1): 327-334.
Impact Factor: 5.132
Dettagli Esporta in BibTeX Esporta in EndNote
Gioia M, Monaco S, Van Den Steen PE, Sbardella D, Grasso G, Marini S, Overall CM, Opdenakker G, Coletta M
* The Collagen Binding Domain of Gelatinase A Modulates Degradation of Collagen IV by Gelatinase (413 visite)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2009; 386(2): 419-434.
Impact Factor: 3.871
Dettagli Esporta in BibTeX Esporta in EndNote
Marasco D, Perretta G, Sabatella M, Ruvo M
* Past and Future Perspectives of Synthetic Peptide Libraries (498 visite)
Curr Protein Pept Sci (ISSN: 1389-2037), 2008 Oct; 9(5): 447-467.
Impact Factor: 3.011
Dettagli Esporta in BibTeX Esporta in EndNote
Malgieri G, Russo L, Esposito S, Baglivo I, Zaccaro L, Pedone EM, Di Blasio B, Isernia C, Pedone PV, Fattorusso R
* The Prokaryotic Cys2his2 Zinc Finger Domain Adopts A Novel Fold As Revealed By The Solution Structure Of Agrobacterium Tumefaciens Ros Dna Binding Domain (346 visite)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2007 Oct 30; 104(44): 17341-17346.
Impact Factor: 9.598
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Tarantino G, Gentile A, Capone D, Basile V, Tarantino M, Di Minno MN, Cuocolo A, Conca P
* Does protracted antiviral therapy impact on HCV-related liver cirrhosis progression? (297 visite)
World J Gastroentero (ISSN: 1007-9327, 2219-2840, 1007-9327linking), 2007 Sep 28; 13(36): 4903-4908.
Impact Factor: 2.433
Dettagli Esporta in BibTeX Esporta in EndNote
Grasso G, Fragai M, Rizzarelli E, Spoto G, Yeo KJ
* A new methodology for monitoring the activity of cdMMP-12 anchored and freeze-dried on Au (111) (311 visite)
Journal Of The American Society For Mass Spectrometry (ISSN: 1044-0305), 2007 May; 18(5): 961-969.
Impact Factor: 3.664
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Dalla Bona A, Formaggio F, Peggion C, Kaptein B, Broxterman Quirinus B, Galdiero S, Galdiero M, Vitiello M, Benedetti E, Toniolo C
* Synthesis, conformation, and bioactivity of novel analogues of the antiviral lipopeptide halovir (431 visite)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2006 Dec; 12(12): 748-757.
Impact Factor: 1.801
Dettagli Esporta in BibTeX Esporta in EndNote
Esposito S, Baglivo I, Malgieri G, Russo L, Zaccaro L, D'Andrea LD, Mammucari M, Di Blasio B, Isernia C, Fattorusso R, Pedone PV
* A novel type of zinc finger DNA binding domain in the Agrobacterium tumefaciens transcriptional regulator Ros (428 visite)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2006 Sep 29; 45(34): 10394-10405.
Impact Factor: 3.633
Dettagli Esporta in BibTeX Esporta in EndNote
Grasso G, D'Agata R, Rizzarelli E, Spoto G, D'Andrea LD, Pedone C, Picardi A, Romanelli A, Fragai M, Yeo KJ
* Activity of anchored human matrix metalloproteinase-1 catalytic domain on Au(111) surfaces monitored by ESI-MS (499 visite)
J Mass Spectrom (ISSN: 1076-5174, 1096-9888), 2005 Dec; 40(12): 1565-1571.
Impact Factor: 3.574
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Iaccarino G, Ciccarelli M, Sorriento D, Galasso G, Campanile A, Santulli G, Cipolletta E, Cerullo V, Cimini V, Altobelli GG, Piscione F, Priante O, Pastore L, Chiariello M, Salvatore F, Koch WJ, Trimarco B
* Ischemic neoangiogenesis enhanced by β2-adrenergic receptor overexpression: A novel role for the endothelial adrenergic system (326 visite)
Circ Res (ISSN: 0009-7330, 1524-4571electronic), 2005; 97(11): 1182-1189.
Impact Factor: 9.408
Dettagli Esporta in BibTeX Esporta in EndNote
De Simone G, Menchise V, Omaggio S, Pedone C, Scozzafava A, Supuran CT
* Design of weakly basic thrombin inhibitors incorporating novel P1 binding functions: Molecular and X-ray crystallographic studies (324 visite)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2003 Sep 5; 42(30): 9013-9021.
Impact Factor: 3.922
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Spalletti-cernia D, Sorrentino R, Di Gaetano S, Arciello A, Garbi C, Piccoli R, D'Alessio G, Vecchio G, Laccetti P, Santoro M
* Antineoplastic ribonucleases selectively kill thyroid carcinoma cells via caspase-mediated induction of apoptosis (357 visite)
Journal Of Clinical Endocrinology & Metabolism (ISSN: 0021-972x), 2003 Jun; 88(6): 2900-2907.
Impact Factor: 5.873
Dettagli Esporta in BibTeX Esporta in EndNote
De Falco S, Ruvoletto MG, Verdoliva A, Ruvo M, Raucci A, Marino M, Senatore S, Cassani G, Alberti A, Pontisso P, Fassina G
* Cloning and Expression of a Novel Hepatitis B Virus-binding Protein from HepG2 Cells (573 visite)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2001 Sep 28; 276(39): 36613-36623.
Impact Factor: 7.258
Dettagli Esporta in BibTeX Esporta in EndNote
Lombardi A, De Simone G, Galdiero S, Staiano N, Nastri F, Pavone V
From natural to synthetic multisite thrombin inhibitors (315 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1999; 51(1): 19-39.
Impact Factor: 2.331
Dettagli Esporta in BibTeX Esporta in EndNote
Pavone V, De Simone G, Nastri F, Galdiero S, Staiano N, Lombardi A, Pedone C
Multiple binding mode of reversible synthetic thrombin inhibitors. A comparative structural analysis (536 visite)
Biol Chem Biological Chemistry (ISSN: 1431-6730, 1437-4315), 1998 Sep; 379(8-9): 987-1006.
Impact Factor: 2.636
Dettagli Esporta in BibTeX Esporta in EndNote
31 Records (31 escludendo Abstract e Conferenze).
Impact factor totale: 140.993 (140.993 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 143.4 (143.4 escludendo Abstract e Conferenze).
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