Antonio Macchiarulo - researchr alias

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Viewing Publication 1 - 12 from 12

2024

Molecular Dynamics-Ensemble Docking and Biophysical Studies for Structure-Based Identification of Non-Amino Acidic Ligands of DDAH-1Carlo Bigiotti, Elisa Bianconi, Luana Ruta, Silvia Grottelli, Alice Coletti, Mirco Dindo, Andrea Carotti, Barbara Cellini, Antonio Macchiarulo. jcisd, 64(17):6866-6879, 2024. [doi]

2020

Discovery of Novel 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors by Exploiting a Multistep Virtual Screening ProtocolAbdurrahman Olgaç, Andrea Carotti, Christian Kretzer, Stephanie Zergiebel, Andreas Seeling, Ulrike Garscha, Oliver Werz, Antonio Macchiarulo, Erden Banoglu. jcisd, 60(3):1737-1748, 2020. [doi]

2014

Ligand Binding and Functional Selectivity of l-Tryptophan Metabolites at the Mouse Aryl Hydrocarbon Receptor (mAhR)Roberto Nuti, Marco Gargaro, Davide Matino, Daniela Dolciami, Ursula Grohmann, Paolo Puccetti, Francesca Fallarino, Antonio Macchiarulo. jcisd, 54(12):3373-3383, 2014. [doi]

2010

Insights into the binding mode and mechanism of action of some atypical retinoids as ligands of the small heterodimer partner (SHP)Marco Cellanetti, Viswanath Gunda, Li Wang, Antonio Macchiarulo, Roberto Pellicciari. jcamd, 24(11):943-956, 2010. [doi]

Molecular Interaction Fields and 3D-QSAR Studies of p53-MDM2 Inhibitors Suggest Additional Features of Ligand-Target InteractionCristina Dezi, Andrea Carotti, Matteo Magnani, Massimo Baroni, Alessandro Padova, Gabriele Cruciani, Antonio Macchiarulo, Roberto Pellicciari. jcisd, 50(8):1451-1465, 2010. [doi]

2009

Charting the Chemical Space of Target Sites: Insights into the Binding Modes of Amine and Amidine GroupsAntonio Macchiarulo, Roberto Nuti, Gokcen Eren, Roberto Pellicciari. jcisd, 49(4):900-912, 2009. [doi]

Mapping Human Metabolic Pathways in the Small Molecule Chemical SpaceAntonio Macchiarulo, Janet M. Thornton, Irene Nobeli. jcisd, 49(10):2272-2289, 2009. [doi]

2008

2006

Pharmacophore model for bile acids recognition by the FPR receptorCristina Ferrari, Antonio Macchiarulo, Gabriele Costantino, Roberto Pellicciari. jcamd, 20(5):295-303, 2006. [doi]

2004

Insights into Phenylalanine Derivatives Recognition of VLA-4 Integrin: From a Pharmacophoric Study to 3D-QSAR and Molecular Docking AnalysesAntonio Macchiarulo, Gabriele Costantino, Mirco Meniconi, Karin Pleban, Gerhard Ecker, Daniele Bellocchi, Roberto Pellicciari. jcisd, 44(5):1829-1839, 2004. [doi]

2002

Molecular dynamics simulation of the ligand binding domain of mGluR1 in response to agonist and antagonist bindingGabriele Costantino, Antonio Macchiarulo, Maxim Belenikin, Roberto Pellicciari. jcamd, 16(11):779-784, 2002. [doi]

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