G. Poli

发表

Receptor-based virtual screening evaluation for the identification of estrogen receptor β ligands

T. Tuccinardi, A. Martinelli, F. Minutolo, 2015, Journal of enzyme inhibition and medicinal chemistry.

Binding investigation and preliminary optimisation of the 3-amino-1,2,4-triazin-5(2H)-one core for the development of new Fyn inhibitors

T. Langer, T. Tuccinardi, F. Rizzolio, 2018, Journal of enzyme inhibition and medicinal chemistry.

Development of terphenyl-2-methyloxazol-5(4H)-one derivatives as selective reversible MAGL inhibitors

T. Tuccinardi, A. Martinelli, F. Rizzolio, 2017, Journal of enzyme inhibition and medicinal chemistry.

L-DOPA-quinone Mediated Recovery from GIRK Channel Firing Inhibition in Dopaminergic Neurons.

N. Mercuri, N. Berretta, R. Saladino, 2019, ACS medicinal chemistry letters.

Novel Potent and Selective Agonists of the GPR55 Receptor Based on the 3-Benzylquinolin-2(1H)-One Scaffold

T. Tuccinardi, S. Bertini, R. Laprairie, 2022, Pharmaceuticals.

Virtual screening and crystallographic studies reveal an unexpected γ-lactone derivative active against MptpB as a potential antitubercular agent.

L. Chiarelli, M. Mori, F. Meneghetti, 2022, European journal of medicinal chemistry.

The endocannabinoid system dual-target ligand N-cycloheptyl-1,2-dihydro-5-bromo-1-(4-fluorobenzyl)-6-methyl-2-oxo-pyridine-3-carboxamide improves disease severity in a mouse model of multiple sclerosis.

M. Marcoli, C. Ghelardini, J. Gertsch, 2020, European journal of medicinal chemistry.

Modification on the 1,2-dihydro-2-oxo-pyridine-3-carboxamide core to obtain multi-target modulators of endocannabinoid system.

J. Gertsch, T. Tuccinardi, F. Gado, 2019, Bioorganic chemistry.

New PIN1 inhibitors identified through a pharmacophore-driven, hierarchical consensus docking strategy

A. Giordano, V. Canzonieri, T. Tuccinardi, 2021, Journal of enzyme inhibition and medicinal chemistry.

miRNA-203b-3p induces acute and chronic pruritus via 5-HTR2B and TRPV4.

J. Calixto, T. Tuccinardi, M. Otuki, 2022, The Journal of investigative dermatology.

Dissecting the Activity of Catechins as Incomplete Aldose Reductase Differential Inhibitors through Kinetic and Computational Approaches

G. Signore, T. Tuccinardi, A. Del Corso, 2022, Biology.

Largazole Analogues as Histone Deacetylase Inhibitors and Anticancer Agents: An Overview of Structure–Activity Relationships

M. Botta, V. Summa, R. Di Fabio, 2017, ChemMedChem.

Targeting Acute Myelogenous Leukemia Using Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on the 2-Hydroxypyrazolo[1,5-a]pyridine Scaffold: SAR of the Aryloxyaryl Moiety

P. Circosta, B. Rolando, S. Al-Karadaghi, 2022, Journal of medicinal chemistry.

Three-Dimensional Interactions Analysis of the Anticancer Target c-Src Kinase with Its Inhibitors

T. Tuccinardi, M. Macchia, G. Poli, 2020, Cancers.

Identification of Human Dihydroorotate Dehydrogenase Inhibitor by a Pharmacophore-Based Virtual Screening Study

D. Boschi, T. Tuccinardi, M. Giorgis, 2022, Molecules.

Targeting GLUT1 in acute myeloid leukemia to overcome cytarabine resistance

Peng Huang, J. Hansen, R. Venskutonytė, 2020, Haematologica.

Discovery of a new ATP-citrate lyase (ACLY) inhibitor identified by a pharmacophore-based virtual screening study

T. Tuccinardi, L. Ciccone, F. Rizzolio, 2020, Journal of biomolecular structure & dynamics.

Optimization of a Benzoylpiperidine Class Identifies a Highly Potent and Selective Reversible Monoacylglycerol Lipase (MAGL) Inhibitor.

J. Gertsch, T. Tuccinardi, F. Rizzolio, 2019, Journal of medicinal chemistry.

Sirtuin 1-Activating Compounds: Discovery of a Class of Thiazole-Based Derivatives

T. Tuccinardi, V. Calderone, F. Minutolo, 2022, Molecules.

New Synthetic Analogues of Natural Polyphenols as Sirtuin 1-Activating Compounds

T. Tuccinardi, V. Calderone, F. Minutolo, 2022, Pharmaceuticals.

Mealworm (Tenebrio molitor): Potential and Challenges to Promote Circular Economy

S. Mancini, F. Riccioli, Salomon Espinosa Diaz, 2021, Animals : an open access journal from MDPI.

Monoacylglycerol lipase (MAGL) inhibitors based on a diphenylsulfide-benzoylpiperidine scaffold.

G. Demontis, T. Tuccinardi, Ivana Barravecchia, 2021, European journal of medicinal chemistry.

Design, synthesis and biological evaluation of second-generation benzoylpiperidine derivatives as reversible monoacylglycerol lipase (MAGL) inhibitors.

E. Giovannetti, V. Canzonieri, T. Perin, 2020, European journal of medicinal chemistry.

Reversible Monoacylglycerol Lipase Inhibitors: Discovery of a New Class of Benzylpiperidine Derivatives

E. Giovannetti, A. Avan, E. Dreassi, 2022, Journal of medicinal chemistry.

Novel 8-Substituted Coumarins That Selectively Inhibit Human Carbonic Anhydrase IX and XII

C. Supuran, T. Tuccinardi, Silvia Bua, 2019, International journal of molecular sciences.

Antibacterial alkylguanidino ureas: Molecular simplification approach, searching for membrane-based MoA.

P. Visca, E. Dreassi, L. Botta, 2022, European journal of medicinal chemistry.

New diterpenes from Salvia pseudorosmarinus and their activity as inhibitors of monoacylglycerol lipase (MAGL).

M. De Leo, N. de Tommasi, A. Braca, 2018, Fitoterapia.

Drug Affinity Responsive Target Stability (DARTS) Identifies Laurifolioside as a New Clathrin Heavy Chain Modulator.

T. Tuccinardi, S. Nejad Ebrahimi, F. Dal Piaz, 2016, Journal of natural products.

Antibacterial and ATP Synthesis Modulating Compounds from Salvia tingitana

T. Bürgi, I. Panfoli, D. Calzia, 2020, Journal of natural products.

New Chromane-Based Derivatives as Inhibitors of Mycobacterium tuberculosis Salicylate Synthase (MbtI): Preliminary Biological Evaluation and Molecular Modeling Studies

L. Chiarelli, M. Mori, F. Meneghetti, 2018, Molecules.

Co-Inhibition of P-gp and Hsp90 by an Isatin-Derived Compound Contributes to the Increase of the Chemosensitivity of MCF7/ADR-Resistant Cells to Doxorubicin

T. Tuccinardi, H. Alkahtani, R. Ahmad, 2021, Molecules.

Pyridazinone-substituted benzenesulfonamides display potent inhibition of membrane-bound human carbonic anhydrase IX and promising antiproliferative activity against cancer cell lines.

C. Supuran, V. Sharoyko, T. Tennikova, 2019, European journal of medicinal chemistry.

The Extra-Virgin Olive Oil Polyphenols Oleocanthal and Oleacein Counteract Inflammation-Related Gene and miRNA Expression in Adipocytes by Attenuating NF-κB Activation

R. de Caterina, M. Wabitsch, F. Santorelli, 2019, Nutrients.

First-of-its-kind STARD3 Inhibitor: In Silico Identification and Biological Evaluation as Anticancer Agent.

V. Canzonieri, T. Tuccinardi, F. Rizzolio, 2019, ACS medicinal chemistry letters.

Resveratrol Analogues as Dual Inhibitors of Monoamine Oxidase B and Carbonic Anhydrase VII: A New Multi-Target Combination for Neurodegenerative Diseases?

S. Carradori, C. Supuran, Mariangela Agamennone, 2022, Molecules.

1,3-Dipolar cycloaddition, HPLC enantioseparation and docking studies of saccharin/isoxazole and saccharin/isoxazoline derivatives as selective carbonic anhydrase IX and XII inhibitors.

S. Carradori, C. Supuran, T. Tuccinardi, 2020, Journal of medicinal chemistry.

N-aryl-N'-ureido-O-sulfamates: Potent and selective inhibitors of the human Carbonic Anhydrase VII isoform with neuropathic pain relieving properties.

C. Supuran, J. Winum, C. Ghelardini, 2019, Bioorganic chemistry.

Continued exploration of 1,2,4-oxadiazole periphery for carbonic anhydrase-targeting primary arene sulfonamides: Discovery of subnanomolar inhibitors of membrane-bound hCA IX isoform that selectively kill cancer cells in hypoxic environment.

C. Supuran, V. Sharoyko, T. Tennikova, 2019, European journal of medicinal chemistry.

Consensus Docking in Drug Discovery

Giulio Poli and Tiziano Tuccinardi, T. Tuccinardi, G. Poli, 2020 .

Anticancer Activity of Euplotin C, Isolated from the Marine Ciliate Euplotes crassus, Against Human Melanoma Cells

S. Fogli, F. Frontini, T. Tuccinardi, 2018, Marine drugs.

Aldose Reductase Differential Inhibitors in Green Tea

T. Tuccinardi, A. Del Corso, M. Cappiello, 2020, Biomolecules.

Carbonic Anhydrase Inhibitors: Identifying Therapeutic Cancer Agents Through Virtual Screening

C. Supuran, T. Tuccinardi, G. Poli, 2021, Progress in Drug Research.

Discovery and development of novel salicylate synthase (MbtI) furanic inhibitors as antitubercular agents.

L. Chiarelli, M. Mori, F. Meneghetti, 2018, European journal of medicinal chemistry.

N-aryl-N'-ureido-O-sulfamates as potent and selective inhibitors of hCA VB over hCA VA: Deciphering the binding mode of new potential agents in mitochondrial dysfunctions.

C. Supuran, T. Tuccinardi, A. Angeli, 2020, Bioorganic chemistry.

An updated patent review of monoacylglycerol lipase (MAGL) inhibitors (2018-present)

T. Tuccinardi, F. Rizzolio, F. Minutolo, 2020, Expert opinion on therapeutic patents.

Application of MM-PBSA Methods in Virtual Screening

Tiziano Tuccinardi, Giulio Poli, Flavio Rizzolio, 2020, Molecules.

Extensive Reliability Evaluation of Docking-Based Target-Fishing Strategies

Tiziano Tuccinardi, Antonio Giordano, Margherita Lapillo, 2019, International journal of molecular sciences.

Discovery of Monoacylglycerol Lipase (MAGL) Inhibitors Based on a Pharmacophore-Guided Virtual Screening Study

T. Tuccinardi, F. Minutolo, M. Macchia, 2020, Molecules.

Conformational Sampling of Small Molecules With iCon: Performance Assessment in Comparison With OMEGA

Thierry Langer, Thomas Seidel, Giulio Poli, 2018, Front. Chem..

Reliability analysis and optimization of the consensus docking approach for the development of virtual screening studies

Tiziano Tuccinardi, Adriano Martinelli, Giulio Poli, 2016, Journal of enzyme inhibition and medicinal chemistry.

Extensive Consensus Docking Evaluation for Ligand Pose Prediction and Virtual Screening Studies

Tiziano Tuccinardi, Antonio Giordano, Adriano Martinelli, 2014, J. Chem. Inf. Model..

Computationally driven discovery of phenyl(piperazin-1-yl)methanone derivatives as reversible monoacylglycerol lipase (MAGL) inhibitors

T. Tuccinardi, F. Rizzolio, F. Minutolo, 2019, Journal of enzyme inhibition and medicinal chemistry.

Polypharmacological profile of 1,2-dihydro-2-oxo-pyridine-3-carboxamides in the endocannabinoid system.

J. Gertsch, T. Tuccinardi, F. Gado, 2018, European journal of medicinal chemistry.

Synthesis and structure activity relationship investigation of triazolo[1,5-a]pyrimidines as CB2 cannabinoid receptor inverse agonists.

K. Varani, T. Tuccinardi, F. Vincenzi, 2016, European journal of medicinal chemistry.

Discovery of Novel µ-Opioid Receptor Inverse Agonist from a Combinatorial Library of Tetrapeptides through Structure-Based Virtual Screening

A. Mollica, G. Zengin, A. Stefanucci, 2019, Molecules.

Rutin as promising drug for the treatment of Parkinson’s disease: an assessment of MAO-B inhibitory potential by docking, molecular dynamics and DFT studies

Hamed I. Ali, T. Tuccinardi, F. Azam, 2019, Molecular Simulation.

Recent Advances in In Silico Target Fishing

T. Tuccinardi, E. Martinelli, G. Poli, 2021, Molecules.

Identification of the putative binding pocket of valerenic acid on GABAA receptors using docking studies and site‐directed mutagenesis

T. Langer, M. Wieder, T. Seidel, 2015, British journal of pharmacology.

Three-Dimensional Analysis of the Interactions between hLDH5 and Its Inhibitors

T. Tuccinardi, F. Minutolo, C. Granchi, 2017, Molecules.

Novel broad spectrum virucidal molecules against enveloped viruses

C. Tintori, M. Botta, R. Cavalli, 2018, PloS one.

VenomPred: A Machine Learning Based Platform for Molecular Toxicity Predictions

T. Tuccinardi, A. Martinelli, M. Macchia, 2022, International journal of molecular sciences.

Virtual screening identifies a PIN1 inhibitor with possible antiovarian cancer effects

Flavio Rizzolio, Tiziano Tuccinardi, Giulio Poli, 2019, Journal of cellular physiology.

Rhodanine derivatives as potent anti-HIV and anti-HSV microbicides

C. Tintori, C. Zamperini, E. Dreassi, 2018, PloS one.

Shedding X-ray Light on the Role of Magnesium in the Activity of Mycobacterium tuberculosis Salicylate Synthase (MbtI) for Drug Design

L. Chiarelli, M. Mori, F. Meneghetti, 2020, Journal of medicinal chemistry.

Development of a Fingerprint-Based Scoring Function for the Prediction of the Binding Mode of Carbonic Anhydrase II Inhibitors

C. Supuran, T. Tuccinardi, A. Martinelli, 2018, International journal of molecular sciences.

Discovery of long-chain salicylketoxime derivatives as monoacylglycerol lipase (MAGL) inhibitors.

J. Katzenellenbogen, K. Carlson, Sung Hoon Kim, 2018, European journal of medicinal chemistry.

The acyl‐glucuronide metabolite of ibuprofen has analgesic and anti‐inflammatory effects via the TRPA1 channel

T. Tuccinardi, P. Geppetti, D. Preti, 2019, Pharmacological research.

Predicting potentially pathogenic effects of hRPE65 missense mutations: a computational strategy based on molecular dynamics simulations

G. Demontis, A. Saba, T. Tuccinardi, 2022, Journal of enzyme inhibition and medicinal chemistry.

An in silico toolbox for the prediction of the potential pathogenic effects of missense mutations in the dimeric region of hRPE65

G. Demontis, A. Saba, T. Tuccinardi, 2023, Journal of enzyme inhibition and medicinal chemistry.

Machine Learning-Based Virtual Screening for the Identification of Cdk5 Inhibitors

T. Tuccinardi, F. Rizzolio, S. Bertini, 2022, International journal of molecular sciences.

New insight into structure-activity of furan-based salicylate synthase (MbtI) inhibitors as potential antitubercular agents

L. Chiarelli, M. Mori, F. Meneghetti, 2019, Journal of enzyme inhibition and medicinal chemistry.

Development of a cheminformatics platform for selectivity analyses of carbonic anhydrase inhibitors

C. Supuran, T. Tuccinardi, A. Martinelli, 2019, Journal of enzyme inhibition and medicinal chemistry.

Synthesis and Biological Evaluation of New Glycoconjugated LDH Inhibitors as Anticancer Agents †

T. Tuccinardi, F. Minutolo, L. Guazzelli, 2019, Molecules.

Identification of New Fyn Kinase Inhibitors Using a FLAP-Based Approach

Flavio Rizzolio, Tiziano Tuccinardi, Adriano Martinelli, 2013, J. Chem. Inf. Model..

Identification of a new STAT3 dimerization inhibitor through a pharmacophore-based virtual screening approach

A. Asai, A. Gelain, T. Tuccinardi, 2016, Journal of enzyme inhibition and medicinal chemistry.

A Virtual Screening Study for Lactate Dehydrogenase 5 Inhibitors by Using a Pharmacophore‐based Approach

T. Tuccinardi, A. Martinelli, F. Minutolo, 2016, Molecular informatics.

Application of a FLAP-Consensus Docking Mixed Strategy for the Identification of New Fatty Acid Amide Hydrolase Inhibitors

Tiziano Tuccinardi, Adriano Martinelli, Giulio Poli, 2015, J. Chem. Inf. Model..

MolBook UNIPI—Create, Manage, Analyze, and Share Your Chemical Data for Free

T. Tuccinardi, M. Macchia, G. Poli, 2023, J. Chem. Inf. Model..

VenomPred 2.0: A Novel In Silico Platform for an Extended and Human Interpretable Toxicological Profiling of Small Molecules.

T. Tuccinardi, C. Granchi, G. Poli, 2023, Journal of chemical information and modeling.

3D Pharmacophore Modeling Techniques in Computer‐Aided Molecular Design Using LigandScout

Thomas Seidel, Thierry Langer, Giulio Poli, 2017 .

SMS121, a new inhibitor of CD36, impairs fatty acid uptake and viability of acute myeloid leukemia

T. Tuccinardi, F. Minutolo, C. Granchi, 2024, Scientific reports.

Design, synthesis, ADME and biological evaluation of benzylpiperidine and benzylpiperazine derivatives as novel reversible monoacylglycerol lipase (MAGL) inhibitors.

E. Dreassi, T. Tuccinardi, F. Rizzolio, 2023, European journal of medicinal chemistry.