All Stories

  1. Preclinical discovery and development of fingolimod for the treatment of multiple sclerosis

    Article • Expert Opinion on Drug Discovery, August 2019, Taylor & Francis

    ANTONIO MACCHIARULO, Professor Ursula Grohmann

  2. Microscale Thermophoresis and Docking Studies Suggest Lapachol and Auraptene are Ligands of IDO1

    Article • Natural Product Communications, September 2018, SAGE Publications

    ANTONIO MACCHIARULO

  3. Opportunities and challenges in drug discovery targeting metabotropic glutamate receptor 4

    Article • Expert Opinion on Drug Discovery, February 2018, Taylor & Francis

    ANTONIO MACCHIARULO, Francesca Fallarino

  4. Immunotherapy… a pursuit race to tomorrow's medicines

    Article • Future Medicinal Chemistry, August 2017, Future Science

    ANTONIO MACCHIARULO

  5. Binding properties of different categories of IDO1 inhibitors: a microscale thermophoresis study

    Article • Future Medicinal Chemistry, August 2017, Future Science

    ANTONIO MACCHIARULO, PhD Andrea Carotti

  6. 4,5-Diarylisoxazol-3-carboxylic acids: A new class of leukotriene biosynthesis inhibitors potentially targeting 5-lipoxygenase-activating protein (FLAP)

    Article • European Journal of Medicinal Chemistry, May 2016, Elsevier

    ANTONIO MACCHIARULO, PhD Andrea Carotti

  7. Integrating multicomponent flow synthesis and computational approaches for the generation of a tetrahydroquinoline compound based library

    Article • MedChemComm, January 2016, Royal Society of Chemistry

    Professor Antimo Gioiello, ANTONIO MACCHIARULO

  8. The Janus-faced nature of IDO1 in infectious diseases: challenges and therapeutic opportunities

    Article • Future Medicinal Chemistry, January 2016, Future Science

    ANTONIO MACCHIARULO, PhD Andrea Carotti, Maura Marinozzi

  9. Concepts and Molecular Aspects in the Polypharmacology of PARP-1 Inhibitors

    Article • ChemMedChem, October 2015, Wiley

    ANTONIO MACCHIARULO, PhD Andrea Carotti

  10. Targeting the MDM2/MDM4 Interaction Interface as a Promising Approach for p53 Reactivation Therapy

    Article • Cancer Research, September 2015, American Association for Cancer Research (AACR)

    ANTONIO MACCHIARULO

  11. Very-long-chain fatty acid sphingomyelin in nuclear lipid microdomains of hepatocytes and hepatoma cells: can the exchange from C24:0 to C16:0 affect signal proteins and vitamin D receptor?

    Article • Molecular Biology of the Cell, June 2015, American Society for Cell Biology (ASCB)

    ANTONIO MACCHIARULO

  12. Pharmacophore-Based Virtual Screening to Discover New Active Compounds for Human Choline Kinase α1

    Article • Molecular Informatics, June 2015, Wiley

    ANTONIO MACCHIARULO, Professor LUISA CARLOTA LOPEZ-CARA

  13. VERY LONG CHAIN FATTY ACID SPHINGOMYELIN IN NUCLEAR LIPID MICRODOMAINS OF HEPATOCYTES AND HEPATOMA CELLS: CAN THE EXCHANGE FROM C24:0 TO C16:0 AFFECT SIGNAL PROTEINS AND VITAMIN D RECEPTOR?

    Article • Molecular Biology of the Cell, May 2015, American Society for Cell Biology (ASCB)

    ANTONIO MACCHIARULO

  14. Pharmacophore-based virtual screening to discover new active compounds for human choline kinase alpha1.

    Article • March 2015, Protein Data Bank, Rutgers University

    ANTONIO MACCHIARULO

  15. Choline Kinase Active Site Provides Features for Designing Versatile Inhibitors

    Article • Current Topics in Medicinal Chemistry, January 2015, Bentham Science Publishers

    ANTONIO MACCHIARULO

  16. Beyond Bile Acids: Targeting Farnesoid X Receptor (FXR) with Natural and Synthetic Ligands

    Article • Current Topics in Medicinal Chemistry, November 2014, Bentham Science Publishers

    ANTONIO MACCHIARULO, PhD Andrea Carotti, Maura Marinozzi

  17. Bile Acid Derivatives as Ligands of the Farnesoid X Receptor: Molecular Determinants for Bile Acid Binding and Receptor Modulation

    Article • Current Topics in Medicinal Chemistry, November 2014, Bentham Science Publishers

    Professor Antimo Gioiello, ANTONIO MACCHIARULO

  18. Ligand Binding and Functional Selectivity of l-Tryptophan Metabolites at the Mouse Aryl Hydrocarbon Receptor (mAhR)

    Article • Journal of Chemical Information and Computer Sciences, November 2014, American Chemical Society (ACS)

    Professor FRANCESCA FALLARINO, ANTONIO MACCHIARULO

  19. Scaffold hopping approach on the route to selective tankyrase inhibitors

    Article • European Journal of Medicinal Chemistry, November 2014, Elsevier

    ANTONIO MACCHIARULO, PhD Andrea Carotti

  20. AhR-Mediated, Non-Genomic Modulation of IDO1 Function

    Article • Frontiers in Immunology, October 2014, Frontiers

    Professor FRANCESCA FALLARINO, ANTONIO MACCHIARULO

  21. Investigating the allosteric reverse signalling of PARP inhibitors with microsecond molecular dynamic simulations and fluorescence anisotropy

    Article • Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics, October 2014, Elsevier

    ANTONIO MACCHIARULO, PhD Andrea Carotti

  22. Targeting glucocorticoid side effects: selective glucocorticoid receptor modulator or glucocorticoid-induced leucine zipper? A perspective

    Article • The FASEB Journal, September 2014, Federation of American Societies For Experimental Biology (FASEB)

    ANTONIO MACCHIARULO

  23. Aryl hydrocarbon receptor control of a disease tolerance defence pathway

    Article • Nature, July 2014, Nature

    Professor FRANCESCA FALLARINO, ANTONIO MACCHIARULO

  24. Indoleamine 2,3-Dioxygenase 1 (IDO1) Is Up-Regulated in Thyroid Carcinoma and Drives the Development of an Immunosuppressant Tumor Microenvironment

    Article • The Journal of Clinical Endocrinology & Metabolism, May 2014, Endocrine Society

    Professor FRANCESCA FALLARINO, ANTONIO MACCHIARULO

  25. Mo1915 Novel Wnt-Targeted Therapy Inhibitors for Hepatocellular Carcinoma

    Article • Gastroenterology, May 2014, Elsevier

    ANTONIO MACCHIARULO

  26. Design, Synthesis, Crystallographic Studies, and Preliminary Biological Appraisal of New Substituted Triazolo[4,3- b ]pyridazin-8-amine Derivatives as Tankyrase Inhibitors

    Article • Journal of Medicinal Chemistry, March 2014, American Chemical Society (ACS)

    ANTONIO MACCHIARULO, PhD Andrea Carotti

  27. Conformational properties of cholic acid, a lead compound at the crossroads of bile acid inspired drug discovery

    Article • MedChemComm, January 2014, Royal Society of Chemistry

    ANTONIO MACCHIARULO

  28. From Polypharmacology to Target Specificity: The Case of PARP Inhibitors

    Article • Current Topics in Medicinal Chemistry, December 2013, Bentham Science Publishers

    ANTONIO MACCHIARULO, PhD Andrea Carotti

  29. Probing the Binding Site of Bile Acids in TGR5

    Article • ACS Medicinal Chemistry Letters, October 2013, American Chemical Society (ACS)

    Dr Thijs W Pols, ANTONIO MACCHIARULO

  30. Exploring the effect of PARP-1 flexibility in docking studies

    Article • Journal of Molecular Graphics and Modelling, September 2013, Elsevier

    ANTONIO MACCHIARULO, PhD Andrea Carotti

  31. Synthesis and Quantitative Structure-Property Relationships of Side Chain-Modified Hyodeoxycholic Acid Derivatives

    Article • Molecules, August 2013, MDPI AG

    ANTONIO MACCHIARULO

  32. PARP inhibitors: polypharmacology versus selective inhibition

    Article • FEBS Journal, May 2013, Wiley

    ANTONIO MACCHIARULO

  33. Navigations of chemical space to further the understanding of polypharmacology in human nuclear receptors

    Article • MedChemComm, January 2013, Royal Society of Chemistry

    ANTONIO MACCHIARULO, PhD Andrea Carotti

  34. Chiral mobile phase in ligand-exchange chromatography of amino acids: Exploring the copper(II) salt anion effect with a computational approach

    Article • Journal of Chromatography A, December 2012, Elsevier

    ANTONIO MACCHIARULO, PhD Andrea Carotti

  35. Patented TGR5 modulators: a review (2006 – present)

    Article • Expert Opinion on Therapeutic Patents, October 2012, Informa Healthcare

    ANTONIO MACCHIARULO

  36. Fitting the complexity of GPCRs modulation into simple hypotheses of ligand design

    Article • Journal of Molecular Graphics and Modelling, September 2012, Elsevier

    ANTONIO MACCHIARULO

  37. Pyrazole[3,4-e][1,4]thiazepin-7-one derivatives as a novel class of Farnesoid X Receptor (FXR) agonists

    Article • Bioorganic & Medicinal Chemistry, June 2012, Elsevier

    ANTONIO MACCHIARULO, PhD Andrea Carotti, Maura Marinozzi

  38. Avicholic Acid: A Lead Compound from Birds on the Route to Potent TGR5 Modulators

    Article • ACS Medicinal Chemistry Letters, April 2012, American Chemical Society (ACS)

    ANTONIO MACCHIARULO

  39. Identification by Virtual Screening and In Vitro Testing of Human DOPA Decarboxylase Inhibitors

    Article • PLoS ONE, February 2012, PLOS

    ANTONIO MACCHIARULO

  40. Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors

    Article • Nature Biotechnology, February 2012, Springer Science + Business Media

    ANTONIO MACCHIARULO

  41. From Molecular Docking to 3D-Quantitative Structure-Activity Relationships (3D-QSAR): Insights into the Binding Mode of 5-Lipoxygenase Inhibitors

    Article • Molecular Informatics, January 2012, Wiley

    ANTONIO MACCHIARULO

  42. Chapter 10. TGR5 Agonists in Development

    Article • January 2012, Royal Society of Chemistry

    ANTONIO MACCHIARULO

  43. Protective Effects of Commiphora erythraea Resin Constituents Against Cellular Oxidative Damage

    Article • Molecules, December 2011, MDPI AG

    ANTONIO MACCHIARULO

  44. Extending SAR of bile acids as FXR ligands: Discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine

    Article • Bioorganic & Medicinal Chemistry, April 2011, Elsevier

    ANTONIO MACCHIARULO, PhD Andrea Carotti

  45. Mechanistic Aspects and Applications of Chiral Ligand-Exchange Chromatography

    Article • March 2011, Taylor & Francis

    ANTONIO MACCHIARULO

  46. Divergent and stereoselective synthesis of dafachronic acids

    Article • Tetrahedron, March 2011, Elsevier

    ANTONIO MACCHIARULO

  47. Alternative strategies for targeting mouse double minute 2 activity with small molecules: novel patents on the horizon?

    Article • Expert Opinion on Therapeutic Patents, February 2011, Informa Healthcare

    ANTONIO MACCHIARULO

  48. Expanding the horizon of chemotherapeutic targets: From MDM2 to MDMX (MDM4)

    Article • MedChemComm, January 2011, Royal Society of Chemistry

    ANTONIO MACCHIARULO, PhD Andrea Carotti

  49. Discovery and characterization of novel potent PARP-1 inhibitors endowed with neuroprotective properties: From TIQ-A to HYDAMTIQ

    Article • MedChemComm, January 2011, Royal Society of Chemistry

    ANTONIO MACCHIARULO, PhD Andrea Carotti

  50. Computational studies for the elucidation of the enantiomer elution order of amino acids in chiral ligand-exchange chromatography

    Article • Journal of Chromatography A, November 2010, Elsevier

    ANTONIO MACCHIARULO

  51. Insights into the binding mode and mechanism of action of some atypical retinoids as ligands of the small heterodimer partner (SHP)

    Article • Journal of Computer-Aided Molecular Design, September 2010, Springer Science + Business Media

    ANTONIO MACCHIARULO

  52. Molecular Interaction Fields and 3D-QSAR Studies of p53−MDM2 Inhibitors Suggest Additional Features of Ligand−Target Interaction

    Article • Journal of Chemical Information and Computer Sciences, August 2010, American Chemical Society (ACS)

    ANTONIO MACCHIARULO, PhD Andrea Carotti

  53. Puzzling over MDM4–p53 network

    Article • The International Journal of Biochemistry & Cell Biology, July 2010, Elsevier

    ANTONIO MACCHIARULO

  54. Novel Polymorphisms of Nuclear Receptor SHP Associated with Functional and Structural Changes

    Article • Journal of Biological Chemistry, June 2010, American Society for Biochemistry & Molecular Biology (ASBMB)

    ANTONIO MACCHIARULO

  55. ChemInform Abstract: Metabotropic Glutamate Receptors: Structure and New Subtype-Selective Ligands

    Article • ChemInform, May 2010, Wiley

    ANTONIO MACCHIARULO, Maura Marinozzi

  56. ChemInform Abstract: Design, Synthesis and Preliminary Evaluation of Novel 3′-Substituted Carboxycyclopropylglycines (XIV) as Antagonists at Group 2 Metabotropic Glutamate Receptors.

    Article • ChemInform, May 2010, Wiley

    ANTONIO MACCHIARULO, Maura Marinozzi

  57. Chiral ligand-exchange separation and resolution of extremely rigid glutamate analogs: 1-aminospiro[2.2]pentyl-1,4-dicarboxylic acids

    Article • Analytical and Bioanalytical Chemistry, May 2010, Springer Science + Business Media

    ANTONIO MACCHIARULO, Maura Marinozzi

  58. Discovery of 6α-Ethyl-23( S )-methylcholic Acid ( S -EMCA, INT-777) as a Potent and Selective Agonist for the TGR5 Receptor, a Novel Target for Diabesity

    Article • Journal of Medicinal Chemistry, December 2009, American Chemical Society (ACS)

    ANTONIO MACCHIARULO

  59. Quantum mechanics/molecular mechanics (QM/MM) modeling of the irreversible transamination of l-kynurenine to kynurenic acid: The round dance of kynurenine aminotransferase II

    Article • Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics, December 2009, Elsevier

    ANTONIO MACCHIARULO, PhD Andrea Carotti

  60. Targeting the conformational transitions of MDM2 and MDMX: Insights into key residues affecting p53 recognition

    Article • Proteins Structure Function and Bioinformatics, November 2009, Wiley

    ANTONIO MACCHIARULO, PhD Andrea Carotti

  61. Derived chromatographic indices as effective tools to study the self-aggregation process of bile acids

    Article • Journal of Pharmaceutical and Biomedical Analysis, November 2009, Elsevier

    ANTONIO MACCHIARULO

  62. Insights into the molecular function of the inactivating mutations of B-Raf involving the DFG motif

    Article • Biochimica et Biophysica Acta (BBA) - Molecular Cell Research, November 2009, Elsevier

    ANTONIO MACCHIARULO

  63. Mapping Human Metabolic Pathways in the Small Molecule Chemical Space

    Article • Journal of Chemical Information and Computer Sciences, October 2009, American Chemical Society (ACS)

    ANTONIO MACCHIARULO

  64. TGR5-Mediated Bile Acid Sensing Controls Glucose Homeostasis

    Article • Cell Metabolism, September 2009, Elsevier

    ANTONIO MACCHIARULO

  65. Bulky 1,4-benzoxazine derivatives with antifungal activity

    Article • Bioorganic & Medicinal Chemistry, June 2009, Elsevier

    ANTONIO MACCHIARULO

  66. MDM2/MDMX inhibitor peptide: WO2008106507

    Article • Expert Opinion on Therapeutic Patents, May 2009, Informa Healthcare

    ANTONIO MACCHIARULO

  67. Poly(ADP-ribose) Catabolism Triggers AMP-dependent Mitochondrial Energy Failure

    Article • Journal of Biological Chemistry, May 2009, American Society for Biochemistry & Molecular Biology (ASBMB)

    ANTONIO MACCHIARULO

  68. Charting the Chemical Space of Target Sites: Insights into the Binding Modes of Amine and Amidine Groups

    Article • Journal of Chemical Information and Computer Sciences, April 2009, American Chemical Society (ACS)

    ANTONIO MACCHIARULO

  69. The effect of the copper(II) salt anion in the Chiral Ligand-Exchange Chromatography of amino acids

    Article • Analytica Chimica Acta, April 2009, Elsevier

    ANTONIO MACCHIARULO

  70. ChemInform Abstract: Targeting the Conformational Transitions of MDM2 and MDMX: Insights into Dissimilarities and Similarities of p53 Recognition.

    Article • ChemInform, January 2009, Wiley

    ANTONIO MACCHIARULO

  71. Design, synthesis and biological evaluation of novel bicyclo[1.1.1]pentane-based ω-acidic amino acids as glutamate receptors ligands

    Article • Bioorganic & Medicinal Chemistry, January 2009, Elsevier

    ANTONIO MACCHIARULO, Maura Marinozzi

  72. ChemInform Abstract: Molecular Field Analysis and 3D-Quantitative Structure-Activity Relationship Study (MFA 3D-QSAR) Unveil Novel Features of Bile Acid Recognition at TGR5.

    Article • ChemInform, December 2008, Wiley

    ANTONIO MACCHIARULO

  73. Cysteine-based chiral selectors for the ligand-exchange separation of amino acids☆

    Article • Journal of Chromatography B, November 2008, Elsevier

    ANTONIO MACCHIARULO

  74. Targeting the Conformational Transitions of MDM2 and MDMX: Insights into Dissimilarities and Similarities of p53 Recognition

    Article • Journal of Chemical Information and Computer Sciences, October 2008, American Chemical Society (ACS)

    ANTONIO MACCHIARULO, PhD Andrea Carotti

  75. Adamantyl-Substituted Retinoid-Derived Molecules That Interact with the Orphan Nuclear Receptor Small Heterodimer Partner: Effects of Replacing the 1-Adamantyl or Hydroxyl Group on Inhibition of Cancer Cell Growth, Induction of Cancer Cell Apoptosis, a...

    Article • Journal of Medicinal Chemistry, September 2008, American Chemical Society (ACS)

    ANTONIO MACCHIARULO

  76. Molecular Field Analysis and 3D-Quantitative Structure−Activity Relationship Study (MFA 3D-QSAR) Unveil Novel Features of Bile Acid Recognition at TGR5

    Article • Journal of Chemical Information and Computer Sciences, September 2008, American Chemical Society (ACS)

    ANTONIO MACCHIARULO

  77. Sequence Variants in Kynurenine Aminotransferase II (KAT II) Orthologs Determine Different Potencies of the InhibitorS-ESBA

    Article • ChemMedChem, August 2008, Wiley

    ANTONIO MACCHIARULO, PhD Andrea Carotti, Maura Marinozzi

  78. Novel Potent and Selective Bile Acid Derivatives as TGR5 Agonists: Biological Screening, Structure−Activity Relationships, and Molecular Modeling Studies

    Article • Journal of Medicinal Chemistry, August 2008, American Chemical Society (ACS)

    ANTONIO MACCHIARULO

  79. Highlights at the gate of tryptophan catabolism: a review on the mechanisms of activation and regulation of indoleamine 2,3-dioxygenase (IDO), a novel target in cancer disease

    Article • Amino Acids, July 2008, Springer Science + Business Media

    ANTONIO MACCHIARULO

  80. Descriptive structure-separation relationship studies in chiral ligand-exchange chromatography

    Article • Journal of Separation Science, July 2008, Wiley

    ANTONIO MACCHIARULO

  81. Novel Potent and Selective Bile Acid Derivatives as TGR5 Agonists: Biological Screening, Structure−Activity Relationships, and Molecular Modeling Studies

    Article • Journal of Medicinal Chemistry, March 2008, American Chemical Society (ACS)

    ANTONIO MACCHIARULO

  82. S‐Trityl‐(R)‐cysteine, a powerful chiral selector for the analytical and preparative ligand‐exchange chromatography of amino acids

    Article • Journal of Separation Science, February 2008, Wiley

    ANTONIO MACCHIARULO

  83. Exploring the other side of biologically relevant chemical space: Insights into carboxylic, sulfonic and phosphonic acid bioisosteric relationships

    Article • Journal of Molecular Graphics and Modelling, November 2007, Elsevier

    ANTONIO MACCHIARULO

  84. Nongenomic Actions of Bile Acids. Synthesis and Preliminary Characterization of 23- and 6,23-Alkyl-Substituted Bile Acid Derivatives as Selective Modulators for the G-Protein Coupled Receptor TGR5

    Article • Journal of Medicinal Chemistry, September 2007, American Chemical Society (ACS)

    ANTONIO MACCHIARULO

  85. Synthesis, Molecular Modeling Studies, and Preliminary Pharmacological Characterization of All Possible 2-(2‘-Sulfonocyclopropyl)glycine Stereoisomers as Conformationally ConstrainedL-Homocysteic Acid Analogs

    Article • Journal of Medicinal Chemistry, September 2007, American Chemical Society (ACS)

    ANTONIO MACCHIARULO, Maura Marinozzi

  86. Oxime and Oxime Ether Derivatives of 1,4-Benzothiazine Related to Oxiconazole

    Article • ChemMedChem, August 2007, Wiley

    ANTONIO MACCHIARULO

  87. Molecular docking and spatial coarse graining simulations as tools to investigate substrate recognition, enhancer binding and conformational transitions in indoleamine-2,3-dioxygenase (IDO)

    Article • Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics, August 2007, Elsevier

    ANTONIO MACCHIARULO

  88. Synthesis, docking studies and anti-inflammatory activity of 4,5,6,7-tetrahydro-2H-indazole derivatives

    Article • Bioorganic & Medicinal Chemistry, May 2007, Elsevier

    ANTONIO MACCHIARULO

  89. (S)-(–)-α,α-Di(2-naphthyl)-2-pyrrolidinemethanol, a useful tool to study the recognition mechanism in chiral ligand-exchange chromatography

    Article • Journal of Separation Science, January 2007, Wiley

    ANTONIO MACCHIARULO

  90. Glucocorticoid-induced leucine zipper (GILZ)/NF- B interaction: role of GILZ homo-dimerization and C-terminal domain

    Article • Nucleic Acids Research, December 2006, Oxford University Press (OUP)

    ANTONIO MACCHIARULO

  91. Pharmacophore model for bile acids recognition by the FPR receptor

    Article • Journal of Computer-Aided Molecular Design, September 2006, Springer Science + Business Media

    ANTONIO MACCHIARULO

  92. Novel ketoconazole analogues based on the replacement of 2,4-dichlorophenyl group with 1,4-benzothiazine moiety: Design, synthesis, and microbiological evaluation

    Article • Bioorganic & Medicinal Chemistry, August 2006, Elsevier

    ANTONIO MACCHIARULO

  93. Synthesis and Preliminary Biological Evaluation of 2′-Substituted 2-(3′-Carboxybicyclo[1.1.1]pentyl)glycine Derivatives as Group I Selective Metabotropic Glutamate Receptor Ligands

    Article • ChemMedChem, March 2006, Wiley

    ANTONIO MACCHIARULO, Maura Marinozzi

  94. Unveiling hidden features of orphan nuclear receptors: The case of the small heterodimer partner (SHP)

    Article • Journal of Molecular Graphics and Modelling, March 2006, Elsevier

    ANTONIO MACCHIARULO

  95. Biochemical and molecular characterization of the novel BRAFV599Ins mutation detected in a classic papillary thyroid carcinoma

    Article • Oncogene, February 2006, Nature

    ANTONIO MACCHIARULO

  96. Genotyping of an Italian papillary thyroid carcinoma cohort revealed high prevalence of BRAF mutations, absence of RAS mutations and allowed the detection of a new mutation of BRAF oncoprotein (BRAFV599Ins)

    Article • Clinical Endocrinology, January 2006, Wiley

    ANTONIO MACCHIARULO

  97. Dynamic ligand-exchange chiral stationary phase from S-benzyl-(R)-cysteine

    Article • Chirality, January 2006, Wiley

    ANTONIO MACCHIARULO

  98. Design, Synthesis, and Microbiological Evaluation of New Candida albicans CYP51 Inhibitors

    Article • Journal of Medicinal Chemistry, December 2005, American Chemical Society (ACS)

    ANTONIO MACCHIARULO

  99. Is Antagonism of E / Z -Guggulsterone at the Farnesoid X Receptor Mediated by a Noncanonical Binding Site? A Molecular Modeling Study

    Article • Journal of Medicinal Chemistry, November 2005, American Chemical Society (ACS)

    ANTONIO MACCHIARULO

  100. Molecular Dynamics Simulation of the Ligand Binding Domain of Farnesoid X Receptor. Insights into Helix-12 Stability and Coactivator Peptide Stabilization in Response to Agonist Binding

    Article • Journal of Medicinal Chemistry, May 2005, American Chemical Society (ACS)

    ANTONIO MACCHIARULO

  101. Docking studies on PARP-1 inhibitors: insights into the role of a binding pocket water molecule

    Article • Bioorganic & Medicinal Chemistry, February 2005, Elsevier

    ANTONIO MACCHIARULO

  102. Insights into Phenylalanine Derivatives Recognition of VLA-4 Integrin: From a Pharmacophoric Study to 3D-QSAR and Molecular Docking Analyses.

    Article • ChemInform, December 2004, Wiley

    ANTONIO MACCHIARULO

  103. Homology model of the multidrug transporter LmrA from Lactococcus lactis

    Article • Bioorganic & Medicinal Chemistry Letters, December 2004, Elsevier

    ANTONIO MACCHIARULO

  104. Insights into Phenylalanine Derivatives Recognition of VLA-4 Integrin:  From a Pharmacophoric Study to 3D-QSAR and Molecular Docking Analyses

    Article • Journal of Chemical Information and Computer Sciences, September 2004, American Chemical Society (ACS)

    ANTONIO MACCHIARULO

  105. Ligand selectivity and competition between enzymes in silico

    Article • Nature Biotechnology, July 2004, Springer Science + Business Media

    ANTONIO MACCHIARULO

  106. Evaluation of the enantiomeric selectivity in the chiral ligand-exchange chromatography of amino acids by a computational model

    Article • Journal of Chromatography A, April 2004, Elsevier

    ANTONIO MACCHIARULO, Maura Marinozzi

  107. QSAR Study of Anticonvulsant Negative Allosteric Modulators of the AMPA Receptor

    Article • Journal of Medicinal Chemistry, March 2004, American Chemical Society (ACS)

    ANTONIO MACCHIARULO

  108. Towards New Neuroprotective Agents: Design and Synthesis of 4H-Thieno[2,3-c]isoquinolin-5-one Derivatives as Potent PARP-1 Inhibitors.

    Article • ChemInform, January 2004, Wiley

    ANTONIO MACCHIARULO, Maura Marinozzi

  109. PROPRIEDADES DIELÉTRICAS E TÉRMICAS DE COMPÓSITOS DE BORRACHA NATURAL COM MICA

    Article • Tecnologia em Metalurgia e Materiais, January 2004, Editora Cubo Multimidia

    ANTONIO MACCHIARULO

  110. Rat brain guanosine binding site

    Article • Bioorganic & Medicinal Chemistry, December 2003, Elsevier

    ANTONIO MACCHIARULO

  111. Towards new neuroprotective agents: design and synthesis of 4H-thieno[2,3-c] isoquinolin-5-one derivatives as potent PARP-1 inhibitors

    Article • Il Farmaco, September 2003, Elsevier

    ANTONIO MACCHIARULO, Maura Marinozzi

  112. Binding mode of 6ECDCA, a potent bile acid agonist of the farnesoid X receptor (FXR)

    Article • Bioorganic & Medicinal Chemistry Letters, June 2003, Elsevier

    ANTONIO MACCHIARULO

  113. The role of electrostatic interaction in the molecular recognition of selective agonists to metabotropic glutamate receptors

    Article • Proteins Structure Function and Bioinformatics, February 2003, Wiley

    ANTONIO MACCHIARULO

  114. Binding modes of noncompetitive AMPA antagonists: a computational approach

    Article • Il Farmaco, February 2003, Elsevier

    ANTONIO MACCHIARULO

  115. Modulation of the Kynurine Pathway of Tryptophan Metabolism in Search for Neuroprotective Agents. Focus on Kynurenine-3-Hydroxylase

    Article • January 2003, Springer Science + Business Media

    ANTONIO MACCHIARULO

  116. Glucocorticoid-Induced Leucine Zipper Inhibits the Raf-Extracellular Signal-Regulated Kinase Pathway by Binding to Raf-1

    Article • Molecular and Cellular Biology, November 2002, ASM Journals

    ANTONIO MACCHIARULO

  117. 1,4-Benzothiazine and 1,4-Benzoxazine imidazole derivatives with antifungal activity: A docking study

    Article • Bioorganic & Medicinal Chemistry, November 2002, Elsevier

    ANTONIO MACCHIARULO

  118. Spiro[2.2]pentane as a Dissymmetric Scaffold for Conformationally Constrained Analogues of Glutamic Acid:  Focus on Racemic 1-Aminospiro[2.2]pentyl-1,4-dicarboxylic Acids

    Article • The Journal of Organic Chemistry, August 2002, American Chemical Society (ACS)

    ANTONIO MACCHIARULO, Maura Marinozzi

  119. Structure of metal–carbenoid intermediates derived from the dirhodium(II)tetracarboxylate mediated decomposition of α-diazocarbonyl compounds: a DFT study

    Article • Journal of Molecular Structure THEOCHEM, April 2002, Elsevier

    ANTONIO MACCHIARULO

  120. Metabotropic glutamate receptors: targets for therapy of cerebral ischaemia

    Article • Expert Opinion on Therapeutic Targets, December 2001, Informa Healthcare

    ANTONIO MACCHIARULO

  121. Design, synthesis and preliminary evaluation of novel 3′-Substituted carboxycyclopropylglycines as antagonists at group 2 metabotropic glutamate receptors

    Article • Bioorganic & Medicinal Chemistry Letters, December 2001, Elsevier

    ANTONIO MACCHIARULO, Maura Marinozzi

  122. Conformational analysis of carboxyphenylglycine (CPG) derivatives: insight into bioactive and bioselective conformations of group-I mGluRs antagonists

    Article • Il Farmaco, November 2001, Elsevier

    ANTONIO MACCHIARULO

  123. Modeling of Poly(ADP-ribose)polymerase (PARP) Inhibitors. Docking of Ligands and Quantitative Structure−Activity Relationship Analysis

    Article • Journal of Medicinal Chemistry, October 2001, American Chemical Society (ACS)

    ANTONIO MACCHIARULO

  124. QSAR and Molecular Modeling Studies of Baclofen Analogues as GABA B Agonists. Insights into the Role of the Aromatic Moiety in GABA B Binding and Activation

    Article • Journal of Medicinal Chemistry, May 2001, American Chemical Society (ACS)

    ANTONIO MACCHIARULO

  125. Homology model of the closed, functionally active, form of the amino terminal domain of mGluR1

    Article • Bioorganic & Medicinal Chemistry, April 2001, Elsevier

    ANTONIO MACCHIARULO

  126. Metabotropic glutamate receptors: structure and new subtype-selective ligands

    Article • Il Farmaco, March 2001, Elsevier

    ANTONIO MACCHIARULO, Maura Marinozzi

  127. Metabotropic glutamate receptors: a structural view point

    Article • Pharmaceutica Acta Helvetiae, March 2000, Elsevier

    ANTONIO MACCHIARULO

  128. Metabotropic glutamate receptors: a structural view point

    Article • January 2000, Elsevier

    ANTONIO MACCHIARULO

  129. Modeling of Amino-Terminal Domains of Group I Metabotropic Glutamate Receptors:  Structural Motifs Affecting Ligand Selectivity

    Article • Journal of Medicinal Chemistry, December 1999, American Chemical Society (ACS)

    ANTONIO MACCHIARULO

  130. Pharmacophore Models of Group I and Group II Metabotropic Glutamate Receptor Agonists. Analysis of Conformational, Steric, and Topological Parameters Affecting Potency and Selectivity

    Article • Journal of Medicinal Chemistry, July 1999, American Chemical Society (ACS)

    ANTONIO MACCHIARULO