Research Topics
Species | Angelo CarottiSummaryAffiliation: University of Bari Country: Italy Publications
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Detail Information
Publications
Structural insights into monoamine oxidase inhibitory potency and selectivity of 7-substituted coumarins from ligand- and target-based approachesMarco Catto
Dipartimento Farmaco-Chimico, , Via Orabona 4, 70125 Bari, Italy
J Med Chem 49:4912-25. 2006..29) and the highest MAO-B selectivity (DeltapIC50 = 3.39) within the entire series of ligands examined herein...- Lipophilicity plays a major role in modulating the inhibition of monoamine oxidase B by 7-substituted coumarinsAngelo Carotti
Dipartimento Farmaco Chimico, University of Bari, Via E Orabona 4, I 70125 Bari, Italy
Chem Biodivers 3:134-49. 2006.... - Targeting monoamine oxidases with multipotent ligands: an emerging strategy in the search of new drugs against neurodegenerative diseasesL Pisani
Dipartimento Farmacochimico, Università degli Studi di Bari Aldo Moro, Italy
Curr Med Chem 18:4568-87. 2011.... - Natural and synthetic geiparvarins are strong and selective MAO-B inhibitors. Synthesis and SAR studiesAngelo Carotti
Dipartimento Farmaco Chimico, Via Orabona 4, I 70125 Bari, Italy
Bioorg Med Chem Lett 12:3551-5. 2002..The desmethyl congener 6 of geiparvarin, proved potent and selective MAO-B inhibitor (pIC(50)=7.55 vs 4.62). X-ray crystallography and molecular modelling studies helped the understanding of the observed structure-activity relationships... - Design, synthesis, and structure-activity relationships of 1-,3-,8-, and 9-substituted-9-deazaxanthines at the human A2B adenosine receptorAngelo Carotti
Dipartimento Farmaco Chimico, Universita di Bari, Via Orabona 4, I 70125 Bari, Italy
J Med Chem 49:282-99. 2006..A comparison among affinity and selectivity profiles of 9-deazaxanthines with the corresponding xanthines suggested some possible differences in their binding mode... - 8-Substituted-9-deazaxanthines as adenosine receptor ligands: design, synthesis and structure-affinity relationships at A2BAngelo Carotti
Dipartimento Farmacochimico, Universita di Bari, Via Orabona 4, 70125 Bari, Italy
Eur J Med Chem 39:879-87. 2004..Preliminary quantitative structure-affinity relationships suggested that the binding potency at the A(2B) receptor is mainly modulated by the electronic and lipophilic properties of the ligands... - 1-, 3- and 8-substituted-9-deazaxanthines as potent and selective antagonists at the human A2B adenosine receptorAngela Stefanachi
Dipartimento Farmaco Chimico, Universita di Bari, Via Orabona 4, I 70125 Bari, Italy
Bioorg Med Chem 16:2852-69. 2008.... - Discovery of a novel class of potent coumarin monoamine oxidase B inhibitors: development and biopharmacological profiling of 7-[(3-chlorobenzyl)oxy]-4-[(methylamino)methyl]-2H-chromen-2-one methanesulfonate (NW-1772) as a highly potent, selective, reversLeonardo Pisani
Dipartimento Farmacochimico, Universita degli Studi di Bari, Via Orabona 4, 70125 Bari, Italy
J Med Chem 52:6685-706. 2009..On the basis of this preliminary preclinical profile, inhibitor 22b might be viewed as a promising clinical candidate for the treatment of neurodegenerative diseases... - Design, synthesis, and biological evaluation of coumarin derivatives tethered to an edrophonium-like fragment as highly potent and selective dual binding site acetylcholinesterase inhibitorsLeonardo Pisani
Dipartimento Farmaco Chimico, Università degli Studi di Bari Aldo Moro, Via Orabona 4, 70125 Bari, Italy
ChemMedChem 5:1616-30. 2010.... - 1,3-Dialkyl-8-(hetero)aryl-9-OH-9-deazaxanthines as potent A2B adenosine receptor antagonists: design, synthesis, structure-affinity and structure-selectivity relationshipsAngela Stefanachi
Dipartimento Farmaco Chimico, Universita degli Studi di Bari, Via Orabona 4, I 70125 Bari, Italy
Bioorg Med Chem 16:9780-9. 2008..0 nM), good selectivity over hA(2A), hA(1) and hA(3) (selectivity indices=100, 79 and 1290, respectively) and excellent antagonist potency in a functional assay on rat A(2B) (pA(2B)=9.33)... - Solid-phase synthesis and insights into structure-activity relationships of safinamide analogues as potent and selective inhibitors of type B monoamine oxidaseFrancesco Leonetti
Dipartimento Farmaco Chimico, University of Bari, Via Orabona 4, I 70125 Bari, Italy
J Med Chem 50:4909-16. 2007..The significantly diverse MAO-B affinities of a number of R and S alpha-aminoamide enantiomers, including the two rigid analogues (21) of safinamide, indicated likely enantioselective interactions at the enzymatic binding sites... - Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-?-hydroxylase/C17-20 lyaseAngela Stefanachi
Dipartimento Farmaco Chimico, Università degli Studi di Bari Aldo Moro, Via Orabona 4, I 70125 Bari, Italy
J Med Chem 54:1613-25. 2011.... - Design, synthesis, and biological evaluation of glycine-based molecular tongs as inhibitors of Abeta1-40 aggregation in vitroSaverio Cellamare
Dipartimento Farmaco Chimico, Universita degli Studi di Bari, Via Orabona 4, 70125 Bari, Italy
Bioorg Med Chem 16:4810-22. 2008..Structure-activity relationships suggested that pi-pi stacking and hydrogen-bonding interactions play a key role in the inhibition of Abeta(1-40) self-assembly leading to amyloid fibrils... - Screening of benzamidine-based thrombin inhibitors via a linear interaction energy in continuum electrostatics modelOrazio Nicolotti
Dipartimento Farmaco Chimico, University of Bari, Via Orabona 4, 70125, Bari, Italy
J Comput Aided Mol Des 24:117-29. 2010..The herein proposed LIECE model has the potential for successfully driving the design of novel thrombin inhibitors with benzamidine and/or benzamidine-like chemical structure... - Homo- and hetero-bivalent edrophonium-like ammonium salts as highly potent, dual binding site AChE inhibitorsFrancesco Leonetti
Dipartimento Farmaco Chimico, Universita di Bari, Via Orabona 4, I 70125 Bari, Italy
Bioorg Med Chem 16:7450-6. 2008..1 and 1.0 nM, and SI=505 and 708, respectively). Docking simulations enabled clear interpretation of the structure-affinity relationships and detection of key binding interactions at the primary and peripheral AChE binding sites... - Analysis of X-ray structures of matrix metalloproteinases via chaotic map clusteringIlenia Giangreco
Dipartimento Farmaco Chimico, University of Bari, Via Orabona 4, Bari, Italy
BMC Bioinformatics 11:500. 2010..In this regard, decrypting the latent molecular reasons in order to elucidate similarity among MMPs is a key challenge... - Design, synthesis and biological evaluation of indane-2-arylhydrazinylmethylene-1,3-diones and indol-2-aryldiazenylmethylene-3-ones as beta-amyloid aggregation inhibitorsMarco Catto
Dipartimento Farmacochimico, Università degli Studi di Bari Aldo Moro, Via Orabona 4, 70125 Bari, Italy
Eur J Med Chem 45:1359-66. 2010..Structure-activity relationships suggested that binding to the Abeta peptide may be largely guided by pi-stacking and hydrogen bond interactions... - An integrated approach to ligand- and structure-based drug design: development and application to a series of serine protease inhibitorsOrazio Nicolotti
Dipartimento Farmaco Chimico, University of Bari, Bari, Italy
J Chem Inf Model 48:1211-26. 2008..As a further validation study, our approach was successfully applied to a series of 3,4,7-substituted coumarins, acting as selective MAO-B inhibitors... - Synthesis and biophysical evaluation of arylhydrazono-1H-2-indolinones as ?-amyloid aggregation inhibitorsFrancesco Campagna
Dipartimento Farmaco Chimico, Università degli Studi di Bari Aldo Moro, Via Orabona 4, 70125 Bari, Italy
Eur J Med Chem 46:275-84. 2011.... - Screening of matrix metalloproteinases available from the protein data bank: insights into biological functions, domain organization, and zinc binding groupsOrazio Nicolotti
Dipartimento Farmaco Chimico, University of Bari, Via Orabona 4, I 70125 Bari, Italy
J Chem Inf Model 47:2439-48. 2007.... - Potent galloyl-based selective modulators targeting multidrug resistance associated protein 1 and P-glycoproteinRaffaella Zoe Pellicani
Dipartimento Farmaco Chimico, Università degli Studi di Bari Aldo Moro, Via Orabona 4, 70125 Bari, Italy
J Med Chem 55:424-36. 2012..On the other hand, trimethyl ether galloyl anilides, with few exceptions, exhibited moderate to very high and selective P-gp inhibition... - Insights into the complex formed by matrix metalloproteinase-2 and alloxan inhibitors: molecular dynamics simulations and free energy calculationsIlenia Giangreco
Dipartimento Farmaco Chimico, University of Bari Aldo Moro, Bari, Italy
PLoS ONE 6:e25597. 2011..Among the herein presented compounds, the highest affinity (pIC(50) = 7.06) is found for BAM, a compound exhibiting also selectivity (>20) towards MMP-2, as compared to MMP-9, the other member of the gelatinases... - Improving quantitative structure-activity relationships through multiobjective optimizationOrazio Nicolotti
Dipartimento Farmaco Chimico, University of Bari, Via Orabona 4, I 70125 Bari, Italy
J Chem Inf Model 49:2290-302. 2009.... - Insights into structure-activity relationships from lipophilicity profiles of pyridin-2(1H)-one analogs of the cardiotonic agent milrinoneModesto De Candia
Dipartimento Farmaco-Chimico, , Via Orabona 4, 70125 Bari, Italy
Eur J Pharm Sci 26:78-86. 2005.... - Synthesis and biological evaluation of pyridazino[4,3-b]indoles and indeno[1,2-c]pyridazines as new ligands of central and peripheral benzodiazepine receptorsFrancesco Campagna
Dipartimento Farmacochimico, Universita di Bari, Via E Orabona 4, 70126 Bari, Italy
Farmaco 58:129-40. 2003.... - Neuronal nicotinic acetylcholine receptor agonists: pharmacophores, evolutionary QSAR and 3D-QSAR modelsOrazio Nicolotti
Dipartimento Farmaco-Chimico, , Via E. Orabona 4, 70125 Bari, Italy
Curr Top Med Chem 4:335-60. 2004..The results reviewed herein show as QSAFIRs may helpfully complement the pharmacophores, thus enhancing the applicability of computer-aided methodologies in the field of nAChR agonists... - Investigation of platelet aggregation inhibitory activity by phenyl amides and esters of piperidinecarboxylic acidsModesto De Candia
Dipartimento Farmaco-Chimico, , Via Orabona 4, 70125, Bari, Italy
Bioorg Med Chem 11:1439-50. 2003.... - Synthesis, central and peripheral benzodiazepine receptor affinity of pyrazole and pyrazole-containing polycyclic derivativesFrancesco Campagna
Dipartimento Farmacochimico, Universita di Bari, Via Orabona 4, 70126 Bari, Italy
Farmaco 59:849-56. 2004..4 nM) and selective CBR ligand. The 4-oxo-1-aryl-1,4-dihydro-indeno[1,2-c]pyrazole diethylamide derivative 14a was instead identified as a relatively potent (IC(50) = 124 nM) but highly selective PBR ligand... - Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitorsFrancesco Leonetti
Dipartimento Farmaco-Chimico, University of Bari, Via Orabona 4, I-70125 Bari, Italy
J Med Chem 47:6792-803. 2004.... - Three-dimensional model of the human aromatase enzyme and density functional parameterization of the iron-containing protoporphyrin IX for a molecular dynamics study of heme-cysteinato cytochromesAngelo Danilo Favia
Department of Medicinal Chemistry, University of Bari, Via E Orabona 4, I 70124 Bari, Italy
Proteins 62:1074-87. 2006..Finally, the last few ns of aromatase MD trajectories were investigated following the essential dynamics protocol that allowed the detection of some correlated motions among some protein domains... - Synthesis and antibacterial activity of pyridazino[4,3-b]indole-4-carboxylic acids carrying different substituents at N-2Fausta Palluotto
Dipartimento Farmacochimico, , Italy
Farmaco 57:63-9. 2002..All the synthesized compounds appear quite weak against Gram-positive bacteria, whereas have no significant activity against Gram-negative bacteria. Only derivative 2g possesses an interesting activity against Gram-positive bacteria... - Structures of human monoamine oxidase B complexes with selective noncovalent inhibitors: safinamide and coumarin analogsClaudia Binda
Department of Genetics and Microbiology, University of Pavia, Via Ferrata 1, Pavia, 27100 Italy
J Med Chem 50:5848-52. 2007..1-0.5 microM range that are 30-700-fold lower than those observed with MAO A. The inhibitors bind noncovalently to MAO B, occupying both the entrance and the substrate cavities and showing a similarly oriented benzyloxy substituent... - Structure-activity relationships in 1,4-benzodioxan-related compounds. 7. Selectivity of 4-phenylchroman analogues for alpha(1)-adrenoreceptor subtypesWilma Quaglia
Department of Chemical Sciences, University of Camerino, Via S. Agostino 1, 62032 Camerino (MC, Italy
J Med Chem 45:1633-43. 2002..Finally, compound 5 was selected for a modeling study in comparison with 1, mephendioxan (3), and open phendioxan (4) to achieve information on the physicochemical interactions that account for its high affinity toward alpha(1d/D)-ARs... - Coumarin, chromone, and 4(3H)-pyrimidinone novel bicyclic and tricyclic derivatives as antiplatelet agents: synthesis, biological evaluation, and comparative molecular field analysisGiorgio Roma
Dipartimento di Scienze Farmaceutiche, Universita di Genova, Viale Benedetto XV, 16132 Genoa, Italy
Bioorg Med Chem 11:123-38. 2003.... - Impact of species-dependent differences on screening, design, and development of MAO B inhibitorsLaura Novaroli
LCT--Pharmacochemistry, School of Pharmaceutical Sciences, University of Geneva, University of Lausanne, Suisse
J Med Chem 49:6264-72. 2006.... - Human recombinant monoamine oxidase B as reliable and efficient enzyme source for inhibitor screeningLaura Novaroli
LCT-Pharmacochimie, Section des Sciences Pharmaceutiques, , , 30 Quai Ernest Ansermet, , Switzerland
Bioorg Med Chem 13:6212-7. 2005..05, Student's t-test). Hence, recombinant enzyme is validated as convenient enzyme source for MAO B inhibitor screening... - Identification of compounds that inhibit growth of 2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine-resistant cancer cellsKurtis E Bachman
Sidney Kimmel Comprehensive Cancer Center, Johns Hopkins University School of Medicine, Baltimore, MD, USA
Mol Cancer Ther 4:1026-30. 2005..These compounds may prove useful for the treatment or prevention of gastrointestinal tumors arising after exposure to PhIP and related carcinogens... - Distant collaboration in drug discovery: the LINK3D projectManuel Pastor
GRIB, IMIM UPF, C Dr Aiguader 80, E 08003, Barcelona, Spain
J Comput Aided Mol Des 16:809-18. 2002..Real-world testing activities carried out on this prototype in order to guarantee its adequacy in diverse environments are also described and discussed...