Angelo Carotti

Summary

Affiliation: University of Bari
Country: Italy

Publications

  1. ncbi request reprint Structural insights into monoamine oxidase inhibitory potency and selectivity of 7-substituted coumarins from ligand- and target-based approaches
    Marco Catto
    Dipartimento Farmaco Chimico, Universita di Bari, Via Orabona 4, 70125 Bari, Italy
    J Med Chem 49:4912-25. 2006
  2. ncbi request reprint 8-Substituted-9-deazaxanthines as adenosine receptor ligands: design, synthesis and structure-affinity relationships at A2B
    Angelo Carotti
    Dipartimento Farmacochimico, Universita di Bari, Via Orabona 4, 70125 Bari, Italy
    Eur J Med Chem 39:879-87. 2004
  3. ncbi request reprint Design, synthesis, and structure-activity relationships of 1-,3-,8-, and 9-substituted-9-deazaxanthines at the human A2B adenosine receptor
    Angelo Carotti
    Dipartimento Farmaco Chimico, Universita di Bari, Via Orabona 4, I 70125 Bari, Italy
    J Med Chem 49:282-99. 2006
  4. ncbi request reprint Lipophilicity plays a major role in modulating the inhibition of monoamine oxidase B by 7-substituted coumarins
    Angelo Carotti
    Dipartimento Farmaco Chimico, University of Bari, Via E Orabona 4, I 70125 Bari, Italy
    Chem Biodivers 3:134-49. 2006
  5. ncbi request reprint Natural and synthetic geiparvarins are strong and selective MAO-B inhibitors. Synthesis and SAR studies
    Angelo Carotti
    Dipartimento Farmaco Chimico, Via Orabona 4, I 70125 Bari, Italy
    Bioorg Med Chem Lett 12:3551-5. 2002
  6. ncbi request reprint Targeting monoamine oxidases with multipotent ligands: an emerging strategy in the search of new drugs against neurodegenerative diseases
    L Pisani
    Dipartimento Farmacochimico, Università degli Studi di Bari Aldo Moro, Italy
    Curr Med Chem 18:4568-87. 2011
  7. doi request reprint 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, revers
    Leonardo Pisani
    Dipartimento Farmacochimico, Universita degli Studi di Bari, Via Orabona 4, 70125 Bari, Italy
    J Med Chem 52:6685-706. 2009
  8. doi request reprint 1-, 3- and 8-substituted-9-deazaxanthines as potent and selective antagonists at the human A2B adenosine receptor
    Angela Stefanachi
    Dipartimento Farmaco Chimico, Universita di Bari, Via Orabona 4, I 70125 Bari, Italy
    Bioorg Med Chem 16:2852-69. 2008
  9. doi request reprint Design, synthesis, and biological evaluation of coumarin derivatives tethered to an edrophonium-like fragment as highly potent and selective dual binding site acetylcholinesterase inhibitors
    Leonardo Pisani
    Dipartimento Farmaco Chimico, Università degli Studi di Bari Aldo Moro, Via Orabona 4, 70125 Bari, Italy
    ChemMedChem 5:1616-30. 2010
  10. doi request reprint Discovery, biological evaluation, and structure-activity and -selectivity relationships of 6'-substituted (E)-2-(benzofuran-3(2H)-ylidene)-N-methylacetamides, a novel class of potent and selective monoamine oxidase inhibitors
    Leonardo Pisani
    Dipartimento di Farmacia Scienze del Farmaco, Università degli Studi di Bari Aldo Moro, Via E Orabona, 4, I 70125 Bari, Italy
    J Med Chem 56:2651-64. 2013

Collaborators

Detail Information

Publications55

  1. ncbi request reprint Structural insights into monoamine oxidase inhibitory potency and selectivity of 7-substituted coumarins from ligand- and target-based approaches
    Marco Catto
    Dipartimento Farmaco Chimico, Universita di Bari, 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...
  2. ncbi request reprint 8-Substituted-9-deazaxanthines as adenosine receptor ligands: design, synthesis and structure-affinity relationships at A2B
    Angelo 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...
  3. ncbi request reprint Design, synthesis, and structure-activity relationships of 1-,3-,8-, and 9-substituted-9-deazaxanthines at the human A2B adenosine receptor
    Angelo 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...
  4. ncbi request reprint Lipophilicity plays a major role in modulating the inhibition of monoamine oxidase B by 7-substituted coumarins
    Angelo Carotti
    Dipartimento Farmaco Chimico, University of Bari, Via E Orabona 4, I 70125 Bari, Italy
    Chem Biodivers 3:134-49. 2006
    ....
  5. ncbi request reprint Natural and synthetic geiparvarins are strong and selective MAO-B inhibitors. Synthesis and SAR studies
    Angelo 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...
  6. ncbi request reprint Targeting monoamine oxidases with multipotent ligands: an emerging strategy in the search of new drugs against neurodegenerative diseases
    L Pisani
    Dipartimento Farmacochimico, Università degli Studi di Bari Aldo Moro, Italy
    Curr Med Chem 18:4568-87. 2011
    ....
  7. doi request reprint 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, revers
    Leonardo 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...
  8. doi request reprint 1-, 3- and 8-substituted-9-deazaxanthines as potent and selective antagonists at the human A2B adenosine receptor
    Angela Stefanachi
    Dipartimento Farmaco Chimico, Universita di Bari, Via Orabona 4, I 70125 Bari, Italy
    Bioorg Med Chem 16:2852-69. 2008
    ....
  9. doi request reprint Design, synthesis, and biological evaluation of coumarin derivatives tethered to an edrophonium-like fragment as highly potent and selective dual binding site acetylcholinesterase inhibitors
    Leonardo Pisani
    Dipartimento Farmaco Chimico, Università degli Studi di Bari Aldo Moro, Via Orabona 4, 70125 Bari, Italy
    ChemMedChem 5:1616-30. 2010
    ....
  10. doi request reprint Discovery, biological evaluation, and structure-activity and -selectivity relationships of 6'-substituted (E)-2-(benzofuran-3(2H)-ylidene)-N-methylacetamides, a novel class of potent and selective monoamine oxidase inhibitors
    Leonardo Pisani
    Dipartimento di Farmacia Scienze del Farmaco, Università degli Studi di Bari Aldo Moro, Via E Orabona, 4, I 70125 Bari, Italy
    J Med Chem 56:2651-64. 2013
    ..These novel MAO-Is may represent promising hits for the development of safer therapeutic agents with a potential against depression, PD, and other age-related neurodegenerative pathologies...
  11. doi request reprint Design, synthesis and biological evaluation of coumarin alkylamines as potent and selective dual binding site inhibitors of acetylcholinesterase
    Marco Catto
    Dipartimento di Farmacia, Università degli Studi di Bari Aldo Moro, Via E Orabona 4, Bari 70125, Italy
    Bioorg Med Chem 21:146-52. 2013
    ..The inhibition mechanism, assessed for the most active compound 13 (IC(50) 7.6 nM) resulted in a mixed-type, thus confirming its binding at both the catalytic and peripheral binding sites of AChE...
  12. doi request reprint 1,3-Dialkyl-8-(hetero)aryl-9-OH-9-deazaxanthines as potent A2B adenosine receptor antagonists: design, synthesis, structure-affinity and structure-selectivity relationships
    Angela 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)...
  13. ncbi request reprint Solid-phase synthesis and insights into structure-activity relationships of safinamide analogues as potent and selective inhibitors of type B monoamine oxidase
    Francesco 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...
  14. doi request reprint Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase
    Angela 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
    ....
  15. doi request reprint Design, synthesis and biological evaluation of benzo[e][1,2,4]triazin-7(1H)-one and [1,2,4]-triazino[5,6,1-jk]carbazol-6-one derivatives as dual inhibitors of beta-amyloid aggregation and acetyl/butyryl cholinesterase
    Marco Catto
    Dipartimento di Farmacia, Università degli Studi di Bari Aldo Moro, Via Orabona 4, 70125 Bari, Italy
    Eur J Med Chem 58:84-97. 2012
    ....
  16. doi request reprint Homo- and hetero-bivalent edrophonium-like ammonium salts as highly potent, dual binding site AChE inhibitors
    Francesco 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...
  17. doi request reprint Screening of benzamidine-based thrombin inhibitors via a linear interaction energy in continuum electrostatics model
    Orazio 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...
  18. doi request reprint Design, synthesis, and biological evaluation of glycine-based molecular tongs as inhibitors of Abeta1-40 aggregation in vitro
    Saverio 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...
  19. doi request reprint Searching for Multi-Targeting Neurotherapeutics against Alzheimer's: Discovery of Potent AChE-MAO B Inhibitors through the Decoration of the 2H-Chromen-2-one Structural Motif
    Leonardo Pisani
    Dipartimento di Farmacia Scienze del Farmaco, Università degli Studi di Bari Aldo Moro, Via E Orabona, 4, I 70125 Bari, Italy
    Molecules 21:362. 2016
    ..96, close to that of diazepam. ..
  20. doi request reprint Design, synthesis and biological evaluation of 5-hydroxy, 5-substituted-pyrimidine-2,4,6-triones as potent inhibitors of gelatinases MMP-2 and MMP-9
    Orazio Nicolotti
    Dipartimento di Farmacia, Università degli Studi di Bari Aldo Moro, Via Orabona 4, I 70125 Bari, Italy
    Eur J Med Chem 58:368-76. 2012
    ..Molecular docking simulations allowed us to elucidate key interactions driving the binding of the top active compounds towards their preferred MMP target...
  21. pmc Analysis of X-ray structures of matrix metalloproteinases via chaotic map clustering
    Ilenia 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...
  22. doi request reprint An integrated approach to ligand- and structure-based drug design: development and application to a series of serine protease inhibitors
    Orazio 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...
  23. doi request reprint Design, synthesis and biological evaluation of indane-2-arylhydrazinylmethylene-1,3-diones and indol-2-aryldiazenylmethylene-3-ones as beta-amyloid aggregation inhibitors
    Marco 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...
  24. doi request reprint Exploring Basic Tail Modifications of Coumarin-Based Dual Acetylcholinesterase-Monoamine Oxidase B Inhibitors: Identification of Water-Soluble, Brain-Permeant Neuroprotective Multitarget Agents
    Leonardo Pisani
    Dipartimento di Farmacia Scienze del Farmaco, Università degli Studi di Bari Aldo Moro, Via E Orabona 4, I 70125 Bari, Italy
    J Med Chem 59:6791-806. 2016
    ..03 μM). Moreover, 5b behaves as a water-soluble, brain-permeant neuroprotective agent against oxidative insults without interacting with P-gp efflux system. ..
  25. doi request reprint Structure-Based Design and Optimization of Multitarget-Directed 2H-Chromen-2-one Derivatives as Potent Inhibitors of Monoamine Oxidase B and Cholinesterases
    Roberta Farina
    Dipartimento di Farmacia Scienze del Farmaco, Università degli Studi di Bari Aldo Moro, Via E Orabona 4, I 70125 Bari, Italy
    J Med Chem 58:5561-78. 2015
    ....
  26. doi request reprint Discovery of new 7-substituted-4-imidazolylmethyl coumarins and 4'-substituted-2-imidazolyl acetophenones open analogues as potent and selective inhibitors of steroid-11β-hydroxylase
    Angela Stefanachi
    Dipartimento di Farmacia Scienze del Farmaco, Università degli Studi di Bari Aldo Moro, Via Orabona 4, 70125 Bari, Italy Electronic address
    Eur J Med Chem 89:106-14. 2015
    ..5 μM concentration). ..
  27. doi request reprint In silico design of novel 2H-chromen-2-one derivatives as potent and selective MAO-B inhibitors
    Leonardo Pisani
    Dipartimento di Farmacia Scienze del Farmaco, Università degli Studi di Bari Aldo Moro, Via E Orabona, 4, I 70125 Bari, Italy
    Eur J Med Chem 89:98-105. 2015
    ..856, RMSE = 0.421) and its transparent rationale in unveiling the main molecular determinants for high potency towards MAO-B. ..
  28. doi request reprint Computational methods for the design of potent aromatase inhibitors
    Angelo Danilo Favia
    Dipartimento di Farmacia, Università degli Studi di Bari Aldo Moro, Via Orabona 4, I 70125 Bari, Italy
    Expert Opin Drug Discov 8:395-409. 2013
    ..One strategy, therefore, to combat breast cancer, has been to find compounds that can inhibit the activity of aromatase to reduce estrogen levels...
  29. ncbi request reprint Screening of matrix metalloproteinases available from the protein data bank: insights into biological functions, domain organization, and zinc binding groups
    Orazio Nicolotti
    Dipartimento Farmaco Chimico, University of Bari, Via Orabona 4, I 70125 Bari, Italy
    J Chem Inf Model 47:2439-48. 2007
    ....
  30. doi request reprint Synthesis and biophysical evaluation of arylhydrazono-1H-2-indolinones as β-amyloid aggregation inhibitors
    Francesco 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
    ....
  31. doi request reprint Fine molecular tuning at position 4 of 2H-chromen-2-one derivatives in the search of potent and selective monoamine oxidase B inhibitors
    Leonardo Pisani
    Dipartimento di Farmacia Scienze del Farmaco, Università degli Studi di Bari Aldo Moro, Via E Orabona 4, I 70125 Bari, Italy
    Eur J Med Chem 70:723-39. 2013
    ..g., CH₃/CH₂OH/CHO/COOH; NH₂/NHCH₃, NHAc), and therefore the results obtained may help in predicting the in vivo activity of some putative metabolites of lead MAO-B inhibitors...
  32. doi request reprint Potent galloyl-based selective modulators targeting multidrug resistance associated protein 1 and P-glycoprotein
    Raffaella 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...
  33. pmc Insights into the complex formed by matrix metalloproteinase-2 and alloxan inhibitors: molecular dynamics simulations and free energy calculations
    Ilenia 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...
  34. doi request reprint Improving quantitative structure-activity relationships through multiobjective optimization
    Orazio Nicolotti
    Dipartimento Farmaco Chimico, University of Bari, Via Orabona 4, I 70125 Bari, Italy
    J Chem Inf Model 49:2290-302. 2009
    ....
  35. doi request reprint Trimethoxybenzanilide-based P-glycoprotein modulators: an interesting case of lipophilicity tuning by intramolecular hydrogen bonding
    Piero Tardia
    Dipartimento di Farmacia Scienze del Farmaco, Università di Bari Aldo Moro, Via Orabona 4, 70125 Bari, Italy
    J Med Chem 57:6403-18. 2014
    ..The present study provides a strong rationale for candidates in the presence of IMHB as a key element for a high P-gp inhibitory activity. ..
  36. doi request reprint Strategies of multi-objective optimization in drug discovery and development
    Orazio Nicolotti
    Dipartimento Farmaco Chimico, University of Bari, Via Orabona 4, I 70125 Bari, Italy
    Expert Opin Drug Discov 6:871-84. 2011
    ..In view of this, multi-objective optimization aims to discover a set of satisfactory compromises that may in turn be used to find the global optimal solution by optimizing numerous dependent properties simultaneously...
  37. ncbi request reprint Insights into structure-activity relationships from lipophilicity profiles of pyridin-2(1H)-one analogs of the cardiotonic agent milrinone
    Modesto De Candia
    Dipartimento Farmaco Chimico, Universita degli Studi, Via Orabona 4, 70125 Bari, Italy
    Eur J Pharm Sci 26:78-86. 2005
    ....
  38. ncbi request reprint Synthesis and biological evaluation of pyridazino[4,3-b]indoles and indeno[1,2-c]pyridazines as new ligands of central and peripheral benzodiazepine receptors
    Francesco Campagna
    Dipartimento Farmacochimico, Universita di Bari, Via E Orabona 4, 70126 Bari, Italy
    Farmaco 58:129-40. 2003
    ....
  39. doi request reprint A Round Trip from Medicinal Chemistry to Predictive Toxicology
    Giuseppe Felice Mangiatordi
    Dipartimento di Farmacia Scienze del Farmaco, Università degli Studi di Bari Aldo Moro, Via E Orabona 4, 70125, Bari, Italy
    Methods Mol Biol 1425:461-73. 2016
    ..Predicting the bioconcentration factor using biokinetics descriptors. Modeling oral sub-chronic toxicity using a customized k-nearest neighbors (k-NN) approach. ..
  40. doi request reprint REACH and in silico methods: an attractive opportunity for medicinal chemists
    Orazio Nicolotti
    Dipartimento di Farmacia Scienze del Farmaco, Università degli Studi di Bari Aldo Moro, Via E Orabona 4, 70125 Bari, Italy Electronic address
    Drug Discov Today 19:1757-68. 2014
    ..Here, we discuss toxicological endpoints and areas where further development is needed to provide an enlightened appraisal of this attractive new opportunity. ..
  41. ncbi request reprint Neuronal nicotinic acetylcholine receptor agonists: pharmacophores, evolutionary QSAR and 3D-QSAR models
    Orazio Nicolotti
    Dipartimento Farmaco Chimico, Universita degli Studi di Bari, 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...
  42. ncbi request reprint Investigation of platelet aggregation inhibitory activity by phenyl amides and esters of piperidinecarboxylic acids
    Modesto De Candia
    Dipartimento Farmaco Chimico, Universita degli Studi, Via Orabona 4, 70125, Bari, Italy
    Bioorg Med Chem 11:1439-50. 2003
    ....
  43. ncbi request reprint Synthesis, central and peripheral benzodiazepine receptor affinity of pyrazole and pyrazole-containing polycyclic derivatives
    Francesco 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...
  44. ncbi request reprint Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors
    Francesco Leonetti
    Dipartimento Farmaco Chimico, University of Bari, Via Orabona 4, I 70125 Bari, Italy
    J Med Chem 47:6792-803. 2004
    ....
  45. doi request reprint Integration of QSAR models for bioconcentration suitable for REACH
    Andrea Gissi
    Laboratory of Chemistry and Environmental Toxicology, IRCCS Istituto di Ricerche Farmacologiche Mario Negri, Via Giuseppe La Masa 19, 20156 Milan, Italy
    Sci Total Environ 456:325-32. 2013
    ....
  46. ncbi request reprint 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 cytochromes
    Angelo 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...
  47. ncbi request reprint Synthesis and antibacterial activity of pyridazino[4,3-b]indole-4-carboxylic acids carrying different substituents at N-2
    Fausta Palluotto
    Dipartimento Farmacochimico, Universita di Bari, 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...
  48. ncbi request reprint Structure-activity relationships in 1,4-benzodioxan-related compounds. 7. Selectivity of 4-phenylchroman analogues for alpha(1)-adrenoreceptor subtypes
    Wilma 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...
  49. ncbi request reprint Human recombinant monoamine oxidase B as reliable and efficient enzyme source for inhibitor screening
    Laura Novaroli
    LCT Pharmacochimie, Section des Sciences Pharmaceutiques, Ecole de Pharmacie Genève Lausanne, Universite de Geneve, 30 Quai Ernest Ansermet, CH 1211 Geneve 4, 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...
  50. ncbi request reprint Identification of compounds that inhibit growth of 2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine-resistant cancer cells
    Kurtis 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...
  51. ncbi request reprint Impact of species-dependent differences on screening, design, and development of MAO B inhibitors
    Laura Novaroli
    LCT Pharmacochemistry, School of Pharmaceutical Sciences, University of Geneva, University of Lausanne, Suisse
    J Med Chem 49:6264-72. 2006
    ....
  52. ncbi request reprint Structures of human monoamine oxidase B complexes with selective noncovalent inhibitors: safinamide and coumarin analogs
    Claudia 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...
  53. ncbi request reprint Coumarin, chromone, and 4(3H)-pyrimidinone novel bicyclic and tricyclic derivatives as antiplatelet agents: synthesis, biological evaluation, and comparative molecular field analysis
    Giorgio Roma
    Dipartimento di Scienze Farmaceutiche, Universita di Genova, Viale Benedetto XV, 16132 Genoa, Italy
    Bioorg Med Chem 11:123-38. 2003
    ....
  54. ncbi request reprint New serotonin 5-HT(2A), 5-HT(2B), and 5-HT(2C) receptor antagonists: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo and heterocycloalkanones
    Jose Brea
    Departamento de Farmacologia, Facultad de Farmacia, Universidad de Santiago de Compostela, E 15782, Santiago de Compostela, Spain
    J Med Chem 45:54-71. 2002
    ..Docking simulations at 5-HT(2A) and 5-HT(2C) receptors suggest a binding site for the studied type of antagonists (between transmembrane helices 2, 3, and 7) different to that of the natural agonist serotonin (between 3, 5, and 6)...
  55. ncbi request reprint Distant collaboration in drug discovery: the LINK3D project
    Manuel 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...