P. Amodeo

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General MS 3 D modelling procedures 2 . 1 Possible computational protocols for MS 3 D approaches

A. Scaloni, R. Vitale, G. Renzone, 2018 .

SDS-resistant Active and Thermostable Dimers Are Obtained from the Dissociation of Homotetrameric β-Glycosidase from Hyperthermophilic Sulfolobus solfataricus in SDS

Ferdinando Febbraio, Andrea Motta, Pietro Amodeo, 2002, The Journal of Biological Chemistry.

Structural features in EIAV NCp11: a lentivirus nucleocapsid protein with a short linker.

P. Amodeo, M. A. Castiglione Morelli, A. Bavoso, 2006, Biochemistry.

Topology of the calmodulin-melittin complex.

A. Scaloni, P. Amodeo, A. Motta, 1998, Journal of molecular biology.

Exploring protein interiors: The role of a buried histidine in the KH module fold

M Nilges, M. Nilges, A. Pastore, 1999, Proteins.

Preclinical Development of a Novel Class of CXCR4 Antagonist Impairing Solid Tumors Growth and Metastases

Andrea Ciarmiello, Pietro Amodeo, Giuseppe Castello, 2013, PloS one.

The Combined Effect of Branching and Elongation on the Bioactivity Profile of Phytocannabinoids. Part I: Thermo-TRPs

R. Vitale, P. Amodeo, G. Appendino, 2021, Biomedicines.

Fishing for Targets of Alien Metabolites: A Novel Peroxisome Proliferator-Activated Receptor (PPAR) Agonist from a Marine Pest

R. Vitale, P. Amodeo, A. Martella, 2018, Marine drugs.

Self-Inclusion Complexes of Monofunctionalized Beta-Cyclodextrins as Host–Guest Interaction Model Systems and Simple and Sensitive Testbeds for Implicit Solvation Methods

R. Vitale, P. Amodeo, 2015 .

Taste and Smell: A Unifying Chemosensory Theory

M. Ghiselin, J. Peñuelas, M. Garson, 2022, The Quarterly Review of Biology.

Probing the dimeric structure of porcine aminoacylase 1 by mass spectrometric and modeling procedures.

A. Scaloni, G. Tell, R. Vitale, 2003, Biochemistry.

Identification and characterization of phytocannabinoids as novel dual PPARα/γ agonists by a computational and in vitro experimental approach.

R. Vitale, P. Amodeo, V. Di Marzo, 2019, Biochimica et biophysica acta. General subjects.

Chaperone-like effect of ceftriaxone on HEWL aggregation: A spectroscopic and computational study.

P. Ruzza, R. Vitale, P. Amodeo, 2018, Biochimica et biophysica acta. General subjects.

Probing membrane topology of the antimicrobial peptide distinctin by solid-state NMR spectroscopy in zwitterionic and charged lipid bilayers.

A. Scaloni, G. Veglia, P. Amodeo, 2011, Biochimica et biophysica acta.

Structural features of distinctin affecting peptide biological and biochemical properties.

A. Scaloni, C. Potrich, R. Vitale, 2008, Biochemistry.

Molecular modeling study for the binding of zonisamide and topiramate to the human mitochondrial carbonic anhydrase isoform VA.

C. Supuran, A. Scozzafava, R. Vitale, 2007, Bioorganic & medicinal chemistry.

2-pentadecyl-2-oxazoline prevents cognitive and social behaviour impairments in the Amyloid β-induced Alzheimer-like mice model: Bring the α2 adrenergic receptor back into play.

R. Vitale, P. Amodeo, D. Scuteri, 2022, Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie.

Structure–activity relationships of fraxamoside as an unusual xanthine oxidase inhibitor

R. Vitale, P. Amodeo, G. Raimo, 2017, Journal of enzyme inhibition and medicinal chemistry.

Effects induced by mono- and divalent cations on protein regions responsible for thermal adaptation in β-glycosidase from Sulfolobus solfataricus

P. Amodeo, R. Nucci, F. Febbraio, 2004, European Biophysics Journal.

Single solution phase conformation of new antiproliferative cembranes

P. Amodeo, A. Fontana, G. Cimino, 1999 .

A new cacospongionolide derivative from the sponge Fasciospongia cavernosa.

P. Amodeo, S. de Rosa, C. Iodice, 1999, Journal of natural products.

Minimalist hybrid ligand/receptor-based pharmacophore model for CXCR4 applied to a small-library of marine natural products led to the identification of phidianidine a as a new CXCR4 ligand exhibiting antagonist activity.

Rosa Maria Vitale, Pietro Amodeo, R. Vitale, 2013, ACS chemical biology.

Structure-activity relationships and molecular modelling of new 5-arylidene-4-thiazolidinone derivatives as aldose reductase inhibitors and potential anti-inflammatory agents.

V. Cardile, R. Vitale, P. Amodeo, 2014, European journal of medicinal chemistry.

New role for leucyl aminopeptidase in glutathione turnover.

A. Scaloni, P. Amodeo, P. Pelosi, 2004, The Biochemical journal.

Metal ion substitution in the catalytic site greatly affects the binding of sulfhydryl-containing compounds to leucyl aminopeptidase.

A. Scaloni, P. Amodeo, C. Pedone, 2006, Biochemistry.

Rare casbane diterpenoids from the Hainan soft coral Sinularia depressa.

R. Vitale, P. Amodeo, M. Carbone, 2010, Journal of natural products.

Identification and Characterization of Cannabidiol as an OX1R Antagonist by Computational and In Vitro Functional Validation

R. Vitale, P. Amodeo, F. Piscitelli, 2021, Biomolecules.

Chemical modification of pectin : environmental friendly process for new potential material development

P. Amodeo, V. Vittoria, M. Leone, 2011 .

A left‐handed α‐helix containing both L‐ and D‐amino acids: The solution structure of the antimicrobial lipodepsipeptide tolaasin

P. Amodeo, A. Motta, A. Evidente, 2003, Proteins.

Marine Natural and Nature-Inspired Compounds Targeting Peroxisome Proliferator Activated Receptors (PPARs)

R. Vitale, P. Amodeo, E. D’Aniello, 2023, Marine drugs.

Solution conformation of c-[Gln-Trp-Phe-Gly-Leu-Met], a NK-2 tachykinin antagonist.

P. Amodeo, P. Rovero, G. Saviano, 2009, International journal of peptide and protein research.

Synthesis, biological activity, and conformational analysis of [pGlu6, N‐MePhe8, Aib9] substance P (6–11): A selective agonist for the NK‐3 receptor

F. Naider, P. Amodeo, G. Saviano, 1993, Biopolymers.

Potent Cytotoxic Analogs of Amphidinolides from the Atlantic Octocoral Stragulum bicolor

R. Vitale, P. Amodeo, A. Fontana, 2019, Marine drugs.

Sensing marine biomolecules: smell, taste, and the evolutionary transition from aquatic to terrestrial life

M. Ghiselin, P. Amodeo, A. Fontana, 2014, Front. Chem..

Structure and absolute stereochemistry of syphonoside, a unique macrocyclic glycoterpenoid from marine organisms.

R. Vitale, P. Amodeo, V. Roussis, 2007, The Journal of organic chemistry.

Identification and Characterization of Cannabimovone, a Cannabinoid from Cannabis sativa, as a Novel PPARγ Agonist via a Combined Computational and Functional Study

R. Vitale, P. Amodeo, G. Appendino, 2020, Molecules.

Structural determination of the active site of a sweet protein A 1H NMR investigation of pMNEI

H. Iijima, P. Amodeo, G. Saviano, 1992, FEBS letters.

Structural analysis of BldR from Sulfolobus solfataricus provides insights into the molecular basis of transcriptional activation in Archaea by MarR family proteins.

R. Vitale, P. Amodeo, C. Pedone, 2009, Journal of molecular biology.

Modularity and homology: modelling of the titin type I modules and their interfaces.

A. Lesk, A. Pastore, F. Fraternali, 2001, Journal of molecular biology.

Kinase recognition by calmodulin: modeling the interaction with the autoinhibitory region of human cardiac titin kinase.

M. Gautel, P. Amodeo, A. Motta, 2001, Journal of molecular biology.

Solution conformational analysis of sodium complexed [Gly6]- and [Gly9]-antamanide analogs.

P. Ruzza, P. Amodeo, G. Saviano, 2009, The journal of peptide research : official journal of the American Peptide Society.

In Silico Identification and Experimental Validation of (−)-Muqubilin A, a Marine Norterpene Peroxide, as PPARα/γ-RXRα Agonist and RARα Positive Allosteric Modulator

R. Vitale, P. Amodeo, A. Martella, 2019, Marine drugs.

Design, Synthesis and In Vitro Experimental Validation of Novel TRPV4 Antagonists Inspired by Labdane Diterpenes

R. Vitale, P. Amodeo, V. Di Marzo, 2020, Marine drugs.

A molecular dynamics study of associations in solution: an NPT simulation of the urea dimer in water

V. Barone, P. Amodeo, F. Lelj, 1987 .

The (Poly)Pharmacology of Cannabidiol in Neurological and Neuropsychiatric Disorders: Molecular Mechanisms and Targets

R. Vitale, P. Amodeo, F. Iannotti, 2021, International journal of molecular sciences.

Patatin-like lipolytic acyl hydrolases and galactolipid metabolism in marine diatoms of the genus Pseudo-nitzschia.

R. Vitale, P. Amodeo, A. Fontana, 2019, Biochimica et biophysica acta. Molecular and cell biology of lipids.

Isolation of Chamigrene Sesquiterpenes and Absolute Configuration of Isoobtusadiene from the Brittle Star Ophionereis reticulata.

P. Amodeo, A. Fontana, H. Matthews-Cascon, 2017, Journal of natural products.

The Suitability of Fishes as Models for Studying Appetitive Behavior in Vertebrates.

M. Ghiselin, P. Amodeo, A. Marino, 2018, Results and problems in cell differentiation.

Air oxidation method employed for the disulfide bond formation of natural and synthetic peptides

A. Scaloni, R. Vitale, P. Amodeo, 2015, Amino Acids.

2-Pentadecyl-2-oxazoline ameliorates memory impairment and depression-like behaviour in neuropathic mice: possible role of adrenergic alpha2- and H3 histamine autoreceptors

R. Vitale, P. Amodeo, V. Di Marzo, 2021, Molecular brain.

Solution conformation of tuftsin.

A. D'Ursi, H. Molinari, P. Amodeo, 1992, Biochemistry.

Solution structure of nociceptin peptides

P. Amodeo, S. Salvadori, P. Temussi, 2002, Journal of peptide science : an official publication of the European Peptide Society.

Physical and water sorption properties of chemically modified pectin with an environmentally friendly process.

V. Bugatti, P. Amodeo, V. Vittoria, 2011, Biomacromolecules.

Assignment and secondary-structure determination of monomeric bovine seminal ribonuclease employing computer-assisted evaluation of homonuclear three-dimensional 1H-NMR spectra.

A. D'Ursi, H. Oschkinat, G. D'alessio, 1995, European Journal of Biochemistry.

A new triple-stranded alpha-helical bundle in solution: the assembling of the cytosolic tail of MHC-associated invariant chain.

P. Amodeo, A. Motta, M. A. Castiglione Morelli, 1997, Structure.

Structural Determinants of Salmon Calcitonin Bioactivity

P. Amodeo, A. Motta, H. Nakamuta, 2006, Journal of Biological Chemistry.

Interactions of GFAP with ceftriaxone and phenytoin: SRCD and molecular docking and dynamic simulation.

P. Ruzza, R. Vitale, P. Amodeo, 2016, Biochimica et biophysica acta.

Structural characterization of the functional regions in the archaeal protein Sso7d

A. Scaloni, M. Rossi, R. Vitale, 2007, Proteins.

Tetrahydroisoquinoline-Derived Urea and 2,5-Diketopiperazine Derivatives as Selective Antagonists of the Transient Receptor Potential Melastatin 8 (TRPM8) Channel Receptor and Antiprostate Cancer Agents.

J. Menéndez, R. Vitale, P. Amodeo, 2016, Journal of medicinal chemistry.

Solution conformation of CCK9, a cholecystokinin analog.

A. D'Ursi, P. Amodeo, D. Picone, 1993, Biochemical and biophysical research communications.

Conformational Features of Human Melanin‐Concentrating Hormone: An NMR and Computational Analysis

R. Vitale, P. Amodeo, M. Saviano, 2003, Chembiochem : a European journal of chemical biology.

Cannabitwinol, a Dimeric Phytocannabinoid from Hemp, Cannabis sativa L., Is a Selective Thermo-TRP Modulator.

R. Vitale, P. Amodeo, G. Appendino, 2020, Journal of natural products.

Converting the Highly Amyloidogenic Human Calcitonin into a Powerful Fibril Inhibitor by Three-dimensional Structure Homology with a Non-amyloidogenic Analogue*

E. Gazit, R. Vitale, P. Amodeo, 2010, The Journal of Biological Chemistry.

Solution structure of human calcitonin in membrane‐mimetic environment: The role of the amphipathic helix

P. Amodeo, A. Motta, G. Andreotti, 1998, Proteins.

Design of μ selective opioid dipeptide antagonists

P. Amodeo, S. Salvadori, G. Balboni, 1997, FEBS letters.

Computational Methods in Mass Spectrometry-Based Protein 3D Studies

Andrea Scaloni, Rosa Maria Vitale, Giovanni Renzone, 2011 .

Structural requirements for proinflammatory activity of porin P2 Loop 7 from Haemophilus influenzae.

P. Amodeo, M. Galdiero, M. Cantisani, 2006, Biochemistry.

FAAH-Catalyzed C-C Bond Cleavage of a New Multitarget Analgesic Drug.

R. Vitale, P. Amodeo, G. Marino, 2018, ACS chemical neuroscience.

Stability and structure of formamide and urea dimers in aqueous solution. A theoretical study

V. Barone, P. Amodeo, G. Barone, 1989 .

Pain peptides. Solution structure of orphanin FQ2

P. Amodeo, S. Salvadori, P. Temussi, 2000, FEBS letters.

Nonempirical cluster model study of the on-top chemisorption of fluorine and chlorine on C(111) surface

V. Barone, N. Russo, M. Toscano, 1988 .

Conformational analysis of potent and very selective δ opioid dipeptide antagonists

P. Amodeo, S. Salvadori, G. Balboni, 1995, FEBS letters.

δ‐Selective Opioid Peptides Containing a Single Aromatic Residue in the Message Domain: An NMR Conformational Analysis

P. Amodeo, S. Salvadori, P. Temussi, 1996 .

Conversion of enkephalin and dermorphin into delta-selective opioid antagonists by single-residue substitution.

P. Amodeo, S. Salvadori, D. Picone, 1994, European journal of biochemistry.

Structure, conformation and biological activity of a novel lipodepsipeptide from Pseudomonas corrugata: cormycin A.

A. Scaloni, M. Gallo, V. Fogliano, 2004, The Biochemical journal.

Conformational sampling of bioactive conformers: a low‐temperature NMR study of 15N‐Leu–enkephalin

D Picone, T Tancredi, F. Naider, 1998, Journal of peptide science : an official publication of the European Peptide Society.

Zofenoprilat-glutathione mixed disulfide as a specific S-thiolating agent of bovine lens aldose reductase.

P. Amodeo, M. Dal Monte, A. Del Corso, 2005, Antioxidants & redox signaling.

N-palmitoyl-D-glucosamine, A Natural Monosaccharide-Based Glycolipid, Inhibits TLR4 and Prevents LPS-Induced Inflammation and Neuropathic Pain in Mice

R. Vitale, P. Amodeo, V. Di Marzo, 2021, International journal of molecular sciences.

Discovery of a Remarkable Methyl Shift Effect in the Vanilloid Activity of Triterpene Amides

R. Vitale, P. Amodeo, G. Appendino, 2020, Journal of natural products.

Elongation of the Hydrophobic Chain as a Molecular Switch: Discovery of Capsaicin Derivatives and Endogenous Lipids as Potent Transient Receptor Potential Vanilloid Channel 2 Antagonists.

R. Vitale, P. Amodeo, V. Di Marzo, 2018, Journal of medicinal chemistry.

A folding-dependent mechanism of antimicrobial peptide resistance to degradation unveiled by solution structure of distinctin.

A. Scaloni, D. Raimondo, G. Renzone, 2005, Proceedings of the National Academy of Sciences of the United States of America.

A SPR strategy for high-throughput ligand screenings based on synthetic peptides mimicking a selected subdomain of the target protein: a proof of concept on HER2 receptor.

Rosa Maria Vitale, Pietro Amodeo, R. Vitale, 2009, Bioorganic & medicinal chemistry.

New antitumour cyclic astin analogues: synthesis, conformation and bioactivity

C. Corbier, P. Amodeo, P. Palladino, 2004, Journal of peptide science : an official publication of the European Peptide Society.

Influence of conformational flexibility on biological activity in cyclic astin analogues

P. Amodeo, P. Palladino, E. Benedetti, 2004, Biopolymers.

Selective opioid dipeptides.

P. Amodeo, S. Salvadori, D. Picone, 1994, Biochemical and biophysical research communications.

Conformational properties of analogues of deltorphins

P. Amodeo, S. Salvadori, G. Balboni, 1991 .

Solution structure of deltorphin I at 265 K: a quantitative NMR study.

P. Amodeo, A. Motta, S. Salvadori, 1992, Peptide research.

Identification of the hydantoin alkaloids parazoanthines as novel CXCR4 antagonists by computational and in vitro functional characterization.

R. Vitale, P. Amodeo, E. Ioannou, 2020, Bioorganic chemistry.

Conformational flexibility in calcitonin: The dynamic properties of human and salmon calcitonin in solution

P. Amodeo, A. Motta, M. A. Castiglione Morelli, 1999, Journal of biomolecular NMR.

Spectroscopy data of ceftriaxone-lysozyme interaction and computational studies

P. Ruzza, R. Vitale, P. Amodeo, 2018, Data in brief.

Structural Elements Regulating Interactions in the Early Stages of Fibrillogenesis: A Human Calcitonin Model System

R. Vitale, P. Amodeo, A. Motta, 2012 .

New insights on μ/δ selectivity of opioid peptides: Conformational analysis of deltorphin analogues

V. Santagada, P. Amodeo, S. Salvadori, 1991 .

A microscopic approach to the structure and thermodynamic properties of peptides and proteins

V. Barone, F. Fraternali, P. Amodeo, 1990 .

Multiple conformations and proline cis-trans isomerization in salmon calcitonin: a combined nuclear magnetic resonance, distance geometry, and molecular mechanics study.

P. Amodeo, M. Morelli, A. Castiglione Motta, 1994, Biochemistry.

Neuroglobin–prion protein interaction: what's the function?

M. Brunori, B. Vallone, A. Arcovito, 2011, Journal of peptide science : an official publication of the European Peptide Society.