Solvent-modulated antioxidant activity and molecular binding of a heterocyclic sulfur dipeptide: A spectroscopic and theoretical study (65 views)
Results In Chemistry, 2026 Mar 6; N/D: N/D-N/D.
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Paper type: Research Journal Article
Impact factor: 5.8, 5-year impact factor: 0
Url: https://www.sciencedirect.com/science/article/pii/S2211715626001876
Keywords: Phytotherapy, Caucasus Plants, Sulfur Dipeptides, Paeonia Daurica, Antimicrobial, Antioxidant Activity, Bsa Interaction, Molecular Docking
Affiliations:
*** IBB - CNR ***
References:
Results In Chemistry, 2026 Mar 6; N/D: N/D-N/D.
Export to BibTeX Export to EndNote
Paper type: Research Journal Article
Impact factor: 5.8, 5-year impact factor: 0
Url: https://www.sciencedirect.com/science/article/pii/S2211715626001876
Keywords: Phytotherapy, Caucasus Plants, Sulfur Dipeptides, Paeonia Daurica, Antimicrobial, Antioxidant Activity, Bsa Interaction, Molecular Docking
Affiliations:
*** IBB - CNR ***
Scientific and Production Center “Armbiotechnology” NAS, RA,
14 Gyurjyan Str., Yerevan 0056, Armenia
Institute of Pharmacy, Yerevan State University,
1 Alex Manoogian Str., Yerevan 0025, Armenia
Geomedi University, 4 King Solomon II Str., 0114 Tbilisi, Georgia
University of Parma, Department of Chemical Science, Life and Environmental Sustainability,
Parco Area delle Scienze 17/A, 43124 Parma, Italy
Institute of Biostructures and Bioimaging, Italian National Council for Research (IBB‑CNR),
Area di Ricerca site and Headquarters, Via Pietro Castellino 111, 80131 Naples, Italy
References:
Solvent-modulated antioxidant activity and molecular binding of a heterocyclic sulfur dipeptide: A spectroscopic and theoretical study
A novel sulfur-containing heterocyclic dipeptide (compound 3) was synthesized and preliminarily evaluated for its therapeutic potential in combination with bioactive plant extracts. The antioxidant activity of the dipeptide was assessed using DPPH radical scavenging and phosphomolybdate assays. In the DPPH assay, compound 3 exhibited dose-dependent activity, with EC₅₀ values of 2.39 ± 0.24 mg/mL in methanol and 2.84 ± 0.29 mg/mL in DMSO, indicating greater efficacy in methanol. Conversely, the phosphomolybdate assay revealed higher total antioxidant capacity in DMSO, suggesting solvent-dependent behavior. Antibacterial activity was tested against Escherichia coli ATCC 25922 using the Kirby–Bauer diffusion method. While compound 3 alone showed no inhibitory effect at concentrations up to 50 mg/disk, its combination with methanolic extracts of Paeonia daurica subsp. mlokosewitschii (leaves and roots) resulted in a dose-dependent reduction of the plant extracts' antibacterial activity, indicating a modulatory interaction that may influence phytotherapeutic efficacy. Independently, the plant extracts demonstrated measurable antibacterial activity, with inhibition zones of 13.61 ± 0.17 mm (leaves) and 13.75 ± 0.05 mm (roots) at 200 μg/disk. Circular dichroism (CD) spectroscopy using bovine serum albumin (BSA) revealed specific peptide–protein binding interactions, supporting the biological relevance of the dipeptide. These findings were further supported by Density Functional Theory (DFT) calculations, molecular docking, and CD spectral deconvolution, providing insight into the compound's structural and interaction properties. Overall, the study highlights the potential of compound 3 as a modulator of plant-derived bioactivities and its relevance in the development of synergistic therapeutic strategies.
A novel sulfur-containing heterocyclic dipeptide (compound 3) was synthesized and preliminarily evaluated for its therapeutic potential in combination with bioactive plant extracts. The antioxidant activity of the dipeptide was assessed using DPPH radical scavenging and phosphomolybdate assays. In the DPPH assay, compound 3 exhibited dose-dependent activity, with EC₅₀ values of 2.39 ± 0.24 mg/mL in methanol and 2.84 ± 0.29 mg/mL in DMSO, indicating greater efficacy in methanol. Conversely, the phosphomolybdate assay revealed higher total antioxidant capacity in DMSO, suggesting solvent-dependent behavior. Antibacterial activity was tested against Escherichia coli ATCC 25922 using the Kirby–Bauer diffusion method. While compound 3 alone showed no inhibitory effect at concentrations up to 50 mg/disk, its combination with methanolic extracts of Paeonia daurica subsp. mlokosewitschii (leaves and roots) resulted in a dose-dependent reduction of the plant extracts' antibacterial activity, indicating a modulatory interaction that may influence phytotherapeutic efficacy. Independently, the plant extracts demonstrated measurable antibacterial activity, with inhibition zones of 13.61 ± 0.17 mm (leaves) and 13.75 ± 0.05 mm (roots) at 200 μg/disk. Circular dichroism (CD) spectroscopy using bovine serum albumin (BSA) revealed specific peptide–protein binding interactions, supporting the biological relevance of the dipeptide. These findings were further supported by Density Functional Theory (DFT) calculations, molecular docking, and CD spectral deconvolution, providing insight into the compound's structural and interaction properties. Overall, the study highlights the potential of compound 3 as a modulator of plant-derived bioactivities and its relevance in the development of synergistic therapeutic strategies.
Solvent-modulated antioxidant activity and molecular binding of a heterocyclic sulfur dipeptide: A spectroscopic and theoretical study
Solvent-modulated antioxidant activity and molecular binding of a heterocyclic sulfur dipeptide: A spectroscopic and theoretical study
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Impact Factor: 4.8
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Sandomenico A, Ruggiero A, Iaccarino E, Oliver A, Squeglia F, Moreira M, Esposito L, Ruvo M, Berisio R
* Unveiling CD59-Antibody Interactions to Design Paratope-Mimicking Peptides for Complement Modulation (1901 views)
Int J Mol Sc (ISSN: 1422-0067linking, 1422-0067electronic), 2023 May 10; 24(10): 500-519.
Impact Factor: 6.21
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Costanzo V, Roviello GN
* The Potential Role of Vaccines in Preventing Antimicrobial Resistance (AMR): An Update and Future Perspectives (737 views)
Vaccines, 2023 Feb; 11: 333-353.
Impact Factor: 7.8
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Ewert E, Pospieszna-markiewicz I, Szymańska M, Kurkiewicz A, Belter A, Kubicki M, Patroniak V, Fik-jaskółka MA, Roviello GN
* New N4-Donor Ligands as Supramolecular Guests for DNA and RNA: Synthesis, Structural Characterization, In Silico, Spectrophotometric and Antimicrobial Studies (1346 views)
Molecules (ISSN: 1420-3049linking, 1420-3049electronic), 2023 Jan; 28: 400-421.
Impact Factor: 4.6
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Doti N, Mardirossian M, Sandomenico A, Ruvo M, Caporale A
* Recent Applications of Retro-Inverso Peptides (1490 views)
Int J Mol Sc (ISSN: 1422-0067linking, 1422-0067electronic, 1661-6596), 2021 Aug 12; 22(16): N/D-N/D.
Impact Factor: 4.556
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Gaglione R, Smaldone G, Cesaro A, Rumolo M, De Luca M, Di Girolamo R, Petraccone L, Del Vecchio P, Oliva R, Notomista E, Pedone E, Arciello A
* Impact of a Single Point Mutation on the Antimicrobial and Fibrillogenic Properties of Cryptides from Human Apolipoprotein (1115 views)
Pharmaceuticals (ISSN: 1424-8247linking, 1424-8247print), 2021 Jun 29; 14(7): N/D-N/D.
Impact Factor: 5.863
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Di Somma A, Avitabile C, Cirillo A, Moretta A, Merlino A, Paduano L, Duilio A, Romanelli A
* The antimicrobial peptide Temporin L impairs E. coli cell division by interacting with FtsZ and the divisome complex (1055 views)
Bba-Gen Subjects (ISSN: 0304-4165linking, 0005-2728, 0006-3002print), 2020 Jul; 1864(7): 129606-129606.
Impact Factor: 3.422
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Mercurio FA, Scaloni A, Caira S, Leone M
* The antimicrobial peptides casocidins I and II: Solution structural studies in water and different membrane-mimetic environments (1492 views)
Peptides (ISSN: 0196-9781linking, 1873-5169electronic), 2018 Sep 19; 114: 50-58.
Impact Factor: 2.851
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Avitabile C, D'Andrea LD, D'Aversa E, Milani R, Gambari R, Romanelli A
* Effect of Acylation on the Antimicrobial Activity of Temporin B Analogues (1650 views)
Chemmedchem (ISSN: 1860-7179linking, 1860-7187electronic), 2018 Aug 10; 13(15): 1549-1554.
Impact Factor: 3.009
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Falanga A, Mercurio FA, Siciliano A, Lombardi L, Galdiero S, Guida M, Libralato G, Leone M, Galdiero E
* Metabolomic and oxidative effects of quantum dots-indolicidin on three generations of Daphnia magna (1722 views)
Aquat Toxicol (ISSN: 0166-445xlinking), 2018 May; 198: 158-164.
Impact Factor: 0
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Gaglione R, Pirone L, Farina B, Fusco S, Smaldone G, Aulitto M, Dell'Olmo E, Roscetto E, Del Gatto A, Fattorusso R, Notomista E, Zaccaro L, Arciello A, Pedone E, Contursi P
* Insights into the anticancer properties of the first antimicrobial peptide from Archaea (1761 views)
Bba-Gen Subjects (ISSN: 0005-2728, 0006-3002print, 0304-4165linking), 2017 Jun 15; 1861(9): 2155-2164.
Impact Factor: 4.28
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Tremonte P, Pannella G, Succi M, Tipaldi L, Sturchio M, Coppola R, Luongo D, Sorrentino E
* Antimicrobial activity of Lactobacillus plantarum strains isolated from different environments: a preliminary study (1104 views) (PDF 311 views)
International Food Research Journal, 2017 Apr; 24(2): 852-859.
Impact Factor: 0
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Avitabile C, D'Andrea LD, Romanelli A
* Studying the Interaction of Magainin 2 and Cecropin A with E. coli Bacterial Cells Using Circular Dichroism (1538 views)
Methods Mol Biol (ISSN: 1940-6029electronic, 1064-3745linking), 2017; 1548: 247-253.
Impact Factor: 3.221
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Avitabile C, D'Andrea LD, Saviano M, Olivieri M, Cimmino A, Romanelli A
* Binding studies of antimicrobial peptides to Escherichia coli cells (2242 views)
Biochem Bioph Res Co (ISSN: 0006-291x), 2016 Sep 09; 478(1): 149-153.
Impact Factor: 2.466
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Pane K, Sgambati V, Zanfardino A, Smaldone G, Cafaro V, Angrisano T, Pedone E, Di Gaetano S, Capasso D, Haney EF, Izzo V, Varcamonti M, Notomista E, Hancock RE, Di Donato A, Pizzo E
* A new cryptic cationic antimicrobial peptide from human apolipoprotein E with antibacterial activity and immunomodulatory effects on human cells (1724 views)
Febs J (ISSN: 1742-464x), 2016; N/D: N/D-N/D.
Impact Factor: 3.902
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Scudiero O, Nigro E, Cantisani M, Colavita I, Leone M, Mercurio FA, Galdiero M, Pessi A, Daniele A, Salvatore F, Galdiero S
* Design and activity of a cyclic mini-beta-defensin analog: a novel antimicrobial tool (1844 views)
Int J Nanomed (ISSN: 1178-2013, 1176-9114, 1176-9114linking), 2015 Oct 15; 10: 6523-6539.
Impact Factor: 4.32
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Kim YH, Shin SW, Pellicano R, Fagoonee S, Choi IJ, Kim YI, Park B, Choi JM, Kim SG, Choi J, Park JY, Oh S, Yang HJ, Lim JH, Im JP, Kim JS, Jung HC, Ponzetto A, Figura N, Malfertheiner P, Choi IJ, Kook MC, Kim YI, Cho SJ, Lee JY, Kim CG, Park B, Nam BH, Bae SE, Choi KD, Choe J, Kim SO, Na HK, Choi JY, Ahn JY, Jung KW, Lee J, Kim DH, Chang HS, Song HJ, Lee GH, Jung HY, Seta T, Takahashi Y, Noguchi Y, Shikata S, Sakai T, Sakai K, Yamashita Y, Nakayama T, Leja M, Park JY, Murillo R, Liepniece-karele I, Isajevs S, Kikuste I, Rudzite D, Krike P, Parshutin S, Polaka I, Kirsners A, Santare D, Folkmanis V, Daugule I, Plummer M, Herrero R, Tsukamoto T, Nakagawa M, Kiriyama Y, Toyoda T, Cao X, Corral JE, Mera R, Dye CW, Morgan DR, Lee YC, Lin JT, Garcia Martin R, Matia Cubillo A, Lee SH, Park JM, Han YM, Ko WJ, Hahm KB, Leontiadis GI, Ford AC, Ichinose M, Sugano K, Jeong M, Park JM, Han YM, Park KY, Lee DH, Yoo JH, Cho JY, Hahm KB, Bang CS, Baik GH, Shin IS, Kim JB, Suk KT, Yoon JH, Kim YS, Kim DJ
* Helicobacter pylori Eradication for Prevention of Metachronous Recurrence after Endoscopic Resection of Early Gastric Cancer (2718 views)
N Engl J Med (ISSN: 0028-4793, 0028-4793linking, 1533-4406electronic), 2015 Jun; 30642104201566393291: 749-756.
Impact Factor: 59.558
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Galdiero S, Falanga A, Berisio R, Grieco P, Morelli G, Galdiero M
* Antimicrobial peptides as an opportunity against bacterial diseases (2408 views)
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2015 Mar 11; 22(14): 1665-1677.
Impact Factor: 3.455
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Kim JK, Son DW, Kim C-H, Cho JH, Marchetti R, Silipo A, Sturiale L, Park HY, Huh YR, Nakayama H, Fukatsu T, Molinaro A, Lee BL
* Insect gut symbiont susceptibility to host antimicrobial peptides caused by alteration of the bacterial cell envelope (3408 views)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2015; 290(34): 21042-21053.
Impact Factor: 4.258
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Galdiero E, Maselli V, Falanga A, Gesuele R, Galdiero S, Fulgione D, Guida M
* Integrated analysis of the ecotoxicological and genotoxic effects of the antimicrobial peptide melittin on Daphnia magna and Pseudokirchneriella subcapitata (1883 views)
Environ Pollut (ISSN: 0269-7491), 2015; 203: 145-152.
Impact Factor: 4.839
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Malgieri G, Avitabile C, Palmieri M, D'Andrea LD, Isernia C, Romanelli A, Fattorusso R
* Structural basis of a temporin 1b analogue antimicrobial activity against gram negative bacteria determined by CD and NMR techniques in cellular environment (2460 views)
Acs Chem Biol (ISSN: 1554-8929), 2015; 10(4): 965-969.
Impact Factor: 5.09
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Notomista E, Falanga A, Fusco S, Pirone L, Zanfardino A, Galdiero S, Varcamonti M, Pedone E, Contursi P
* The identification of a novel Sulfolobus islandicus CAMP-like peptide points to archaeal microorganisms as cell factories for the production of antimicrobial molecules (4012 views)
Microb Cell Fact (ISSN: 1475-2859), 2015; 14(1): N/D-N/D.
Impact Factor: 3.744
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Cantisani M, Finamore E, Mignogna E, Falanga A, Nicoletti GF, Pedone C, Morelli G, Leone M, Galdiero M, Galdiero S
* Structural insights into and activity analysis of the antimicrobial peptide myxinidin (3964 views)
Antimicrob Agents Ch (ISSN: 0066-4804, 1098-6596), 2014 Sep; 58(9): 5280-5290.
Impact Factor: 4.476
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Calce E, Mignogna E, Bugatti V, Galdiero M, Vittoria V, De Luca S
* Pectin functionalized with natural fatty acids as antimicrobial agent (1650 views)
Int J Biol Macromol (ISSN: 0141-8130, 0141-8130linking, 1879-0003electronic), 2014 Jul; 68: 28-32.
Impact Factor: 2.858
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Avitabile C, D'Andrea LD, Romanelli A
* Circular Dichroism studies on the interactions of antimicrobial peptides with bacterial cells (1923 views)
Sci Rep (ISSN: 2045-2322, 2045-2322electronic, 2045-2322linking), 2014 Mar 12; 4: 4293-4293.
Impact Factor: 5.578
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Rai M, Kon K, Ingle A, Duran N, Galdiero S, Galdiero M
* Broad-spectrum bioactivities of silver nanoparticles: the emerging trends and future prospects (2862 views)
Appl Microbiol Biot (ISSN: 0175-7598), 2014 Mar; 98(5): 1951-1961.
Impact Factor: 3.337
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Cantisani M, Leone M, Mignogna E, Kampanaraki K, Falanga A, Morelli G, Galdiero M, Galdiero S
* Structure-Activity Relations of Myxinidin, an Antibacterial Peptide Derived from the Epidermal Mucus of Hagfish (2422 views)
Antimicrob Agents Ch (ISSN: 0066-4804, 1098-6596), 2013 Nov; 57(11): 5665-5673.
Impact Factor: 4.451
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Galdiero S, Falanga A, Cantisani M, Vitiello M, Morelli G, Galdiero M
* Peptide-Lipid Interactions: Experiments and Applications (2980 views)
Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067electronic), 2013 Sep; 14(9): 18758-18789.
Impact Factor: 2.339
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Avitabile C, Netti F, Orefice G, Palmieri M, Nocerino N, Malgieri G, D'Andrea LD, Capparelli R, Fattorusso R, Romanelli A
* Design, structural and functional characterization of a Temporin-1b analog active against Gram-negative bacteria (2944 views)
Bba-Gen Subjects (ISSN: 0304-4165, 0006-3002, 0925-4439), 2013 Jun; 1830(6): 3767-3775.
Impact Factor: 3.829
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Avitabile C, Capparelli R, Rigano MM, Fulgione A, Barone A, Pedone C, Romanelli A
* Antimicrobial peptides from plants: Stabilization of the γ core of a tomato defensin by intramolecular disulfide bond (2080 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2013 Apr; 19(4): 240-245.
Impact Factor: 1.862
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Scudiero O, Galdiero S, Nigro E, Del Vecchio L, Di Noto R, Cantisani M, Colavita I, Galdiero M, Cassiman JJ, Daniele A, Pedone C, Salvatore F
* Chimeric beta-defensin analogs, including the novel 3NI analog, display salt-resistant antimicrobial activity and lack toxicity in human epithelial cell lines (1745 views)
Antimicrob Agents Ch (ISSN: 1098-6596, 0066-4804), 2013 Apr; 57(4): 1701-1708.
Impact Factor: 4.451
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Galdiero S, Falanga A, Tarallo R, Russo L, Galdiero E, Cantisani M, Morelli G, Galdiero M
* Peptide inhibitors against herpes simplex virus infections (3087 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2013 Mar; 19(3): 148-158.
Impact Factor: 1.862
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Simonetti O, Cirioni O, Ghiselli R, Goteri G, Orlando F, Monfregola L, De Luca S, Zizzi A, Silvestri C, Veglia G, Giacometti A, Guerrieri M, Offidani A, Scaloni A
* Antimicrobial properties of distinctin in an experimental model of MRSA-infected wounds (1846 views)
Eur J Clin Microbiol Infect Dis (ISSN: 0934-9723, 0934-9723linking), 2012 Nov; 31(11): 3047-3055.
Impact Factor: 3.024
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Romanelli A, Moggio L, Montella RC, Campiglia P, Iannaccone M, Capuano F, Pedone C, Capparelli R
* Peptides from Royal Jelly: studies on the antimicrobial activity of jelleins, jelleins analogs and synergy with temporins (3562 views)
J Pept Sci (ISSN: 1099-1387, 1075-2617, 1075-2617print), 2011 Dec 2; 17(5): 348-352.
Impact Factor: 1.799
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Verardi R, Traaseth NJ, Shi L, Porcelli F, Monfregola L, De Luca S, Amodeo P, Veglia G, Scaloni A
* Probing membrane topology of the antimicrobial peptide distinctin by solid-state NMR spectroscopy in zwitterionic and charged lipid bilayers (2433 views)
Bba-Gen Subjects (ISSN: 0005-2736, 0006-3002, 0925-4439), 2011 Jan; 1808(1): 34-40.
Impact Factor: 3.99
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Scudiero O, Galdiero S, Cantisani M, Di Noto R, Vitiello M, Galdiero M, Naclerio G, Cassiman JJ, Pedone C, Castaldo G, Salvatore F
* Novel synthetic, salt-resistant analogs of human beta-defensins 1 and 3 endowed with enhanced antimicrobial activity (2820 views)
Antimicrob Agents Ch (ISSN: 1098-6596, 0066-4804), 2010 Jun; 54(6): 2312-2322.
Impact Factor: 4.672
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Scudiero O, Galdiero S, Cantisani M, Di Noto R, Galdiero M, D'Isanto M, Naclerio G, Pedone C, Castaldo G, Salvatore F
* Synthetic Analogs Of Human Beta-Defensins Display A More Effective Antimicrobial Activity Than Wild-Type Peptides (1590 views)
Antimicrob Agents Chemother, 2010; 54: 2312-2322.
Impact Factor: 3.445
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Roviello GN, Musumeci D, Castiglione M, Bucci EM, Pedone C, Benedetti E
* Solid Phase Synthesis And Rna-Binding Studies Of A Serum-Resistant Nucleo-Epsilon-Peptide (3316 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Mar; 15(3): 155-160.
Impact Factor: 1.807
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Cirioni O, Ghiselli R, Orlando F, Silvestri C, De Luca S, Salzano AM, Mocchegiani F, Saba V, Scalise G, Scaloni A, Giacometti A
* Efficacy of the amphibian peptide distinctin in a neutropenic mouse model of staphylococcal sepsis (2198 views)
Critical Care Medicine (ISSN: 0090-3493), 2008 Sep; 36(9): 2629-2633.
Impact Factor: 6.594
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Dalla Serra M, Cirioni O, Vitale RM, Renzone G, Coraiola M, Giacometti A, Potrich C, Baroni E, Guella G, Sanseverino M, De Luca S, Scalise G, Amodeo P, Scaloni A
* Structural features of distinctin affecting peptide biological and biochemical properties (2626 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2008 Jul 29; 47(30): 7888-7899.
Impact Factor: 3.379
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45 Records (45 excluding Abstracts).
Total impact factor: 232.097 (232.097 excluding Abstracts).
Total 5 year impact factor: 201.457 (201.457 excluding Abstracts).
Total impact factor: 232.097 (232.097 excluding Abstracts).
Total 5 year impact factor: 201.457 (201.457 excluding Abstracts).
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