S. Cosconati

发表

A more detailed picture of the interactions between virtual screening-derived hits and the DNA G-quadruplex: NMR, molecular modelling and ITC studies.

E. Novellino, Valeria La Pietra, L. Marinelli, 2011, Biochimie.

From the pharmacophore to the homology model of the benzodiazepine receptor: the indolyglyoxylamides affair.

E. Novellino, B. Cosimelli, G. Greco, 2012, Current topics in medicinal chemistry.

Properly Substituted Analogues of BIX-01294 Lose Inhibition of G9a Histone Methyltransferase and Gain Selective Anti-DNA Methyltransferase 3A Activity

E. Novellino, A. Mai, Xiaodong Cheng, 2014, PloS one.

Sampling protein motion and solvent effect during ligand binding

M. Parrinello, E. Novellino, F. Da Settimo, 2012, Proceedings of the National Academy of Sciences.

Computer-Aided Identification and Lead Optimization of Dual Murine Double Minute 2 and 4 Binders: Structure-Activity Relationship Studies and Pharmacological Activity.

Ettore Novellino, Luciana Marinelli, Sandro Cosconati, 2017, Journal of medicinal chemistry.

Tandem application of virtual screening and NMR experiments in the discovery of brand new DNA quadruplex groove binders.

Ettore Novellino, Luciana Marinelli, Sandro Cosconati, 2009, Journal of the American Chemical Society.

Architecture of the human urotensin II receptor: comparison of the binding domains of peptide and non-peptide urotensin II agonists.

E. Novellino, A. Lavecchia, S. Cosconati, 2005, Journal of medicinal chemistry.

Increasing αvβ3 selectivity of the anti-angiogenic drug cilengitide by N-methylation.

E. Novellino, H. Kessler, Johannes G. Beck, 2011, Angewandte Chemie.

Peptidyl Vinyl Ketones Irreversible Inhibitors of Rhodesain: Modifications of the P2 Fragment.

U. Hellmich, T. Schirmeister, S. Cosconati, 2020, ChemMedChem.

Development of Novel Benzodiazepine‐Based Peptidomimetics as Inhibitors of Rhodesain from Trypanosoma brucei rhodesiense

T. Schirmeister, S. Cosconati, M. Zappalà, 2020, ChemMedChem.

A balance between elongation and trimming regulates telomere stability in stem cells

S. Cosconati, J. Karlseder, Teresa Rivera, 2016, Nature Structural &Molecular Biology.

Tandem application of ligand-based virtual screening and G4-OAS assay to identify novel G-quadruplex-targeting chemotypes.

E. Novellino, B. Pagano, Jussara Amato, 2017, Biochimica et biophysica acta. General subjects.

Shooting for selective druglike G-quadruplex binders: evidence for telomeric DNA damage and tumor cell death.

E. Novellino, B. Pagano, L. Marinelli, 2012, Journal of medicinal chemistry.

Investigation of new 2-aryl substituted Benzothiopyrano[4,3-d]pyrimidines as kinase inhibitors targeting vascular endothelial growth factor receptor 2.

E. Novellino, F. Da Settimo, S. Taliani, 2015, European journal of medicinal chemistry.

Identification of novel indole derivatives acting as inhibitors of the Keap1–Nrf2 interaction

E. Novellino, B. Cosimelli, G. Greco, 2019, Journal of enzyme inhibition and medicinal chemistry.

a ] benzimidazol-4 ( 10 H )-one , a Novel Adenosine Receptor Antagonist with A 2 A-Mediated Neuroprotective Effects

S. Taliani, M. Trincavelli, C. Martini, 2011 .

Optimization strategy of novel peptide-based Michael acceptors for the treatment of Human African Trypanosomiasis.

U. Hellmich, T. Schirmeister, S. Cosconati, 2019, Journal of medicinal chemistry.

Structure-based virtual screening and biological evaluation of Mycobacterium tuberculosis adenosine 5'-phosphosulfate reductase inhibitors.

David S Goodsell, Ettore Novellino, Sandro Cosconati, 2008, Journal of medicinal chemistry.

New insights in the structure-activity relationships of 2-phenylamino-substituted benzothiopyrano[4,3-d]pyrimidines as kinase inhibitors.

E. Novellino, F. Da Settimo, S. Taliani, 2018, European journal of medicinal chemistry.

Pursuing aldose reductase inhibitors through in situ cross-docking and similarity-based virtual screening.

Ettore Novellino, Luciana Marinelli, Sandro Cosconati, 2009, Journal of medicinal chemistry.

Phenylpyrazolo[1,5-a]quinazolin-5(4H)-one: a suitable scaffold for the development of noncamptothecin topoisomerase I (Top1) inhibitors.

Y. Pommier, E. Novellino, F. Da Settimo, 2013, Journal of medicinal chemistry.

Synthesis and Biological Evaluation of CTP Synthetase Inhibitors as Potential Agents for the Treatment of African Trypanosomiasis

Terry K. Smith, E. Novellino, M. Barrett, 2012, ChemMedChem.

Cover Picture: Ensemble‐Docking Approach on BACE‐1: Pharmacophore Perception and Guidelines for Drug Design (ChemMedChem 5/2007)

Ettore Novellino, Vittorio Limongelli, Luciana Marinelli, 2007 .

Revisiting a Receptor-Based Pharmacophore Hypothesis for Human A2A Adenosine Receptor Antagonists

Stefano Moro, Ettore Novellino, Sandro Cosconati, 2013, J. Chem. Inf. Model..

Selective Non-nucleoside Inhibitors of Human DNA Methyltransferases Active in Cancer Including in Cancer Stem Cells

Ettore Novellino, Sandro Cosconati, Xing Zhang, 2014, Journal of medicinal chemistry.

Structural and conformational requisites in DNA quadruplex groove binding: another piece to the puzzle.

Ettore Novellino, Vittorio Limongelli, Luciana Marinelli, 2010, Journal of the American Chemical Society.

Ensemble‐Docking Approach on BACE‐1: Pharmacophore Perception and Guidelines for Drug Design

Boris Schmidt, Ettore Novellino, Vittorio Limongelli, 2007 .

Ensemble‐Docking Approach on BACE‐1: Pharmacophore Perception and Guidelines for Drug Design

Boris Schmidt, Ettore Novellino, Vittorio Limongelli, 2007, ChemMedChem.

Best Matching Protein Conformations and Docking Programs for a Virtual Screening Campaign Against SMO Receptor

Sandro Cosconati, Giorgio Amendola, Danilo Di Maio, 2016, Molecular informatics.

Pyrrolyl Pyrazoles as Non-Diketo Acid Inhibitors of the HIV-1 Ribonuclease H Function of Reverse Transcriptase.

E. Novellino, S. Di Maro, R. Di Santo, 2020, ACS Medicinal Chemistry Letters.

FEPrepare: A Web-Based Tool for Automating the Setup of Relative Binding Free Energy Calculations

Michail Papadourakis, Dimitris Dellis, Zoe Cournia, 2021, J. Chem. Inf. Model..

Modeling of Cdc25B Dual Specifity Protein Phosphatase Inhibitors: Docking of Ligands and Enzymatic Inhibition Mechanism

Ettore Novellino, Vittorio Limongelli, Sandro Cosconati, 2006, ChemMedChem.

The G-triplex DNA.

Michele Parrinello, Ivano Bertini, Ettore Novellino, 2013, Angewandte Chemie.

Identification of novel β‐secretase inhibitors through the inclusion of protein flexibility in virtual screening calculations

David S. Goodsell, Arthur J. Olson, Ruth Huey, 2008 .

Characterizing the 1,4-dihydropyridines binding interactions in the L-type Ca2+ channel: model construction and docking calculations.

Ettore Novellino, Luciana Marinelli, Sandro Cosconati, 2007, Journal of medicinal chemistry.

Ligand based approach to L-type calcium channel by imidazo[2,1-b]thiazole-1,4-dihydropyridines: from heart activity to brain affinity.

E. Novellino, R. Budriesi, P. Ioan, 2013, Journal of medicinal chemistry.

Structure-activity relationship refinement and further assessment of 4-phenylquinazoline-2-carboxamide translocator protein ligands as antiproliferative agents in human glioblastoma tumors.

Barbara Costa, Ettore Novellino, Luciana Marinelli, 2014, Journal of medicinal chemistry.

Cationic nucleopeptides as novel non-covalent carriers for the delivery of peptide nucleic acid (PNA) and RNA oligomers.

A. Chambery, E. Novellino, C. Ieranò, 2018, Bioorganic & medicinal chemistry.

A conformationally frozen peptoid boosts CXCR4 affinity and anti-HIV activity.

H. Kessler, L. Marinelli, S. Cosconati, 2012, Angewandte Chemie.

Discovery of Pyrido[3',2':5,6]thiopyrano[4,3-d]pyrimidine-Based Antiproliferative Multikinase Inhibitors.

E. Novellino, F. Da Settimo, S. Taliani, 2019, ACS medicinal chemistry letters.

Synthesis and biological evaluation of novel peptidomimetics as rhodesain inhibitors

T. Schirmeister, S. Cosconati, M. Zappalà, 2016, Journal of enzyme inhibition and medicinal chemistry.

Inhibition of Histone Demethylases LSD1 and UTX Regulates ERα Signaling in Breast Cancer

H. Stunnenberg, L. Altucci, A. Mai, 2019, Cancers.

4-Imidazo[2,1-b]thiazole-1,4-DHPs and neuroprotection: preliminary study in hits searching.

R. Budriesi, M. Frosini, S. Cosconati, 2019, European journal of medicinal chemistry.

Characterization of 2,4-Diamino-6-oxo-1,6-dihydropyrimidin-5-yl Ureido Based Inhibitors of Trypanosoma brucei FolD and Testing for Antiparasitic Activity

Maria Paola Costi, E. Novellino, W. Hunter, 2015, Journal of medicinal chemistry.

Shading the TRF2 recruiting function: a new horizon in drug development.

E. Gilson, E. Novellino, B. Pagano, 2014, Journal of the American Chemical Society.

Development of novel 1,4-benzodiazepine-based Michael acceptors as antitrypanosomal agents.

T. Schirmeister, S. Cosconati, M. Zappalà, 2016, Bioorganic & medicinal chemistry letters.

Inhibition studies on carbonic anhydrase isoforms I, II, IV and IX with N-arylsubstituted secondary sulfonamides featuring a bicyclic tetrahydroindazole scaffold.

E. Novellino, F. Da Settimo, S. Taliani, 2021, European journal of medicinal chemistry.

Identification of anxiolytic/nonsedative agents among indol-3-ylglyoxylamides acting as functionally selective agonists at the gamma-aminobutyric acid-A (GABAA) alpha2 benzodiazepine receptor.

E. Novellino, B. Cosimelli, G. Greco, 2009, Journal of medicinal chemistry.

Structure-based lead optimization of peptide-based vinyl methyl ketones as SARS-CoV-2 main protease inhibitors

Christin Müller, J. Ziebuhr, S. Di Maro, 2022, European Journal of Medicinal Chemistry.

Olive Leaves and Hibiscus Flowers Extracts-Based Preparation Protect Brain from Oxidative Stress-Induced Injury

E. Novellino, R. Budriesi, M. Frosini, 2020, Antioxidants.

Src inhibitors act through different mechanisms in Non-Small Cell Lung Cancer models depending on EGFR and RAS mutational status

R. Bianco, S. Parsons, S. Cosconati, 2015, Oncotarget.

Identification of 5-arylidene-4-thiazolidinone derivatives endowed with dual activity as aldose reductase inhibitors and antioxidant agents for the treatment of diabetic complications.

E. Novellino, F. Da Settimo, C. La Motta, 2011, European journal of medicinal chemistry.

Novel 2-substituted-benzimidazole-6-sulfonamides as carbonic anhydrase inhibitors: synthesis, biological evaluation against isoforms I, II, IX and XII and molecular docking studies

E. Novellino, F. Da Settimo, S. Taliani, 2019, Journal of enzyme inhibition and medicinal chemistry.

Synthesis and biological evaluation of 4-phenylquinazoline-2-carboxamides designed as a novel class of potent ligands of the translocator protein.

E. Novellino, G. Greco, F. Da Settimo, 2012, Journal of medicinal chemistry.

N-Substituted Quinolinonyl Diketo Acid Derivatives as HIV Integrase Strand Transfer Inhibitors and Their Activity against RNase H Function of Reverse Transcriptase.

Y. Pommier, E. Novellino, S. L. Le Grice, 2015, Journal of medicinal chemistry.

Identification of novel molecular scaffolds for the design of MMP-13 inhibitors: a first round of lead optimization.

E. Novellino, F. Da Settimo, S. Taliani, 2012, European journal of medicinal chemistry.

Boosting Fmoc Solid-Phase Peptide Synthesis by Ultrasonication.

E. Novellino, P. Grieco, S. Di Maro, 2019, Organic letters.

Imidazo[2,1-b]thiazole system: a scaffold endowing dihydropyridines with selective cardiodepressant activity.

E. Novellino, R. Budriesi, P. Ioan, 2008, Journal of Medicinal Chemistry.

Monothiocarbamates Strongly Inhibit Carbonic Anhydrases in Vitro and Possess Intraocular Pressure Lowering Activity in an Animal Model of Glaucoma.

E. Novellino, C. Supuran, A. Scozzafava, 2016, Journal of medicinal chemistry.

Synthesis, in vitro, and in cell studies of a new series of [indoline-3,2'-thiazolidine]-based p53 modulators.

E. Novellino, P. Grieco, M. Illario, 2013, Journal of medicinal chemistry.

Identification of Highly Conserved Residues Involved in Inhibition of HIV-1 RNase H Function by Diketo Acid Derivatives

E. Novellino, O. Delelis, R. Di Santo, 2014, Antimicrobial Agents and Chemotherapy.

State-of-the-art methodologies for the discovery and characterization of DNA G-quadruplex binders.

E. Novellino, B. Pagano, Valeria La Pietra, 2012, Current pharmaceutical design.

Tailoring a lead-like compound targeting multiple G-quadruplex structures.

E. Novellino, B. Pagano, Jussara Amato, 2019, European journal of medicinal chemistry.

Elucidation of the enantioselective recognition mechanism of a penicillin G acylase-based chiral stationary phase towards a series of 2-aryloxy-2-arylacetic acids.

G. Massolini, E. Novellino, A. Lavecchia, 2006, Chirality.

Virtual screening with AutoDock: theory and practice

Stefano Forli, David S Goodsell, Sandro Cosconati, 2010, Expert opinion on drug discovery.

Inhibition of Ocular Aldose Reductase by a New Benzofuroxane Derivative Ameliorates Rat Endotoxic Uveitis

E. Novellino, C. La Motta, D. Siniscalco, 2014, Mediators of inflammation.

Structure-activity relationship of the exopolysaccharide from a psychrophilic bacterium: A strategy for cryoprotection.

Daniel E. Mitchell, E. Novellino, M. Tutino, 2017, Carbohydrate polymers.

Quinolinonyl Non-Diketo Acid Derivatives as Inhibitors of HIV-1 Ribonuclease H and Polymerase Functions of Reverse Transcriptase

E. Novellino, R. Di Santo, R. Costi, 2021, Journal of medicinal chemistry.

New insights into the interaction between pyrrolyl diketoacids and HIV-1 integrase active site and comparison with RNase H.

E. Novellino, O. Delelis, R. Di Santo, 2016, Antiviral research.

Basic Quinolinonyl Diketo Acid Derivatives as Inhibitors of HIV Integrase and their Activity against RNase H Function of Reverse Transcriptase

Y. Pommier, E. Novellino, S. L. Le Grice, 2014, Journal of medicinal chemistry.

Water-soluble pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidines as human A₃ adenosine receptor antagonists.

K. Varani, S. Di Maro, L. Marinelli, 2012, Journal of medicinal chemistry.

Decoration of Chondroitin Polysaccharide with Threonine: Synthesis, Conformational Study, and Ice-Recrystallization Inhibition Activity.

E. Novellino, S. Cosconati, A. Randazzo, 2017, Biomacromolecules.

Synthesis and Gene Silencing Properties of siRNAs Containing Terminal Amide Linkages

E. Novellino, S. Cosconati, M. Gaglione, 2014, BioMed research international.

Benzofuroxane derivatives as multi-effective agents for the treatment of cardiovascular diabetic complications. Synthesis, functional evaluation, and molecular modeling studies.

E. Novellino, F. Da Settimo, S. Taliani, 2012, Journal of medicinal chemistry.

Carbonic anhydrase activation profile of indole-based derivatives

F. Da Settimo, S. Taliani, C. Martini, 2021, Journal of enzyme inhibition and medicinal chemistry.

Novel N2-substituted pyrazolo[3,4-d]pyrimidine adenosine A3 receptor antagonists: inhibition of A3-mediated human glioblastoma cell proliferation.

E. Novellino, B. Cosimelli, G. Greco, 2010, Journal of medicinal chemistry.

Switchable Protecting Strategy for Solid Phase Synthesis of DNA and RNA Interacting Nucleopeptides.

A. Chambery, E. Novellino, S. Lama, 2016, The Journal of organic chemistry.

Two novel SIRT1 activators, SCIC2 and SCIC2.1, enhance SIRT1-mediated effects in stress response and senescence

L. Altucci, A. Nebbioso, G. Sbardella, 2020, Epigenetics.

Discovery of a Novel Chemotype of Histone Lysine Methyltransferase EHMT1/2 (GLP/G9a) Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Co-crystal Structure.

E. Novellino, Xiaodong Cheng, G. Sbardella, 2019, Journal of medicinal chemistry.

Antitumor efficacy of Kisspeptin in human malignant mesothelioma cells

F. Ciardiello, R. Bianco, T. Troiani, 2018, Oncotarget.

Lead Discovery of Dual G-Quadruplex Stabilizers and Poly(ADP-ribose) Polymerases (PARPs) Inhibitors: A New Avenue in Anticancer Treatment.

E. Novellino, B. Pagano, L. Botta, 2017, Journal of medicinal chemistry.

Antiproliferative and proapoptotic activity of CLM3, a novel multiple tyrosine kinase inhibitor, alone and in combination with SN-38 on endothelial and cancer cells.

F. Da Settimo, C. La Motta, R. Danesi, 2011, Biochemical pharmacology.

Discovery of the first dual G-triplex/G-quadruplex stabilizing compound: a new opportunity in the targeting of G-rich DNA structures?

E. Novellino, B. Pagano, G. Capranico, 2017, Biochimica et biophysica acta. General subjects.

Progresses in the pursuit of aldose reductase inhibitors: the structure-based lead optimization step.

E. Novellino, F. Da Settimo, C. La Motta, 2012, European journal of medicinal chemistry.

Development of Urea-Bond-Containing Michael Acceptors as Antitrypanosomal Agents Targeting Rhodesain

T. Schirmeister, S. Cosconati, Marta Bogacz, 2022, ACS medicinal chemistry letters.

CLIPSing Melanotan-II to Discover Multiple Functionally Selective hMCR Agonists.

V. Hruby, A. Mollica, M. Cai, 2022, Journal of medicinal chemistry.

SIRT6 interacts with TRF2 and promotes its degradation in response to DNA damage

E. Gilson, E. Novellino, M. Mottolese, 2016, Nucleic acids research.

Irreversible inhibition of TRF2TRFH recruiting functions: a strategy to induce telomeric replication stress in cancer cells

A. Chambery, H. Pickett, L. Altucci, 2023, bioRxiv.

Conformational control of integrin-subtype selectivity in isoDGR peptide motifs: a biological switch.

E. Novellino, H. Schiller, H. Kessler, 2010, Angewandte Chemie.

Development of Reduced Peptide Bond Pseudopeptide Michael Acceptors for the Treatment of Human African Trypanosomiasis

U. Hellmich, T. Schirmeister, S. Cosconati, 2022, Molecules.

tert‐Butylcarbamate‐Containing Histone Deacetylase Inhibitors: Apoptosis Induction, Cytodifferentiation, and Antiproliferative Activities in Cancer Cells

E. Novellino, D. Trisciuoglio, L. Altucci, 2013, ChemMedChem.

Disulfide bond replacement with 1,4- and 1,5-disubstituted [1,2,3]-triazole on C-X-C chemokine receptor type 4 (CXCR4) peptide ligands: small changes that make big differences.

E. Novellino, C. Ieranò, S. Scala, 2020, Chemistry.

PyRMD: A New Fully Automated AI-Powered Ligand-Based Virtual Screening Tool

Sandro Cosconati, Giorgio Amendola, S. Cosconati, 2021, J. Chem. Inf. Model..

Design, synthesis, and functionalization of dimeric peptides targeting chemokine receptor CXCR4.

U. Schumacher, H. Kessler, L. Marinelli, 2011, Journal of medicinal chemistry.

Exploring the chemical space of G-quadruplex binders: discovery of a novel chemotype targeting the human telomeric sequence.

A. Cavalli, E. Novellino, B. Pagano, 2013, Journal of medicinal chemistry.

Discovery of N-aryl-naphthylamines as in vitro inhibitors of the interaction between HIV integrase and the cofactor LEDGF/p75.

E. Novellino, R. Di Santo, R. Costi, 2015, European journal of medicinal chemistry.

Homology Modeling of NR2B Modulatory Domain of NMDA Receptor and Analysis of Ifenprodil Binding

D. Case, E. Novellino, A. Bertamino, 2007, ChemMedChem.

Exploiting the 4-Phenylquinazoline Scaffold for the Development of High Affinity Fluorescent Probes for the Translocator Protein (TSPO).

E. Novellino, F. Da Settimo, S. Taliani, 2017, Journal of medicinal chemistry.

Residence Time, a New parameter to Predict Neurosteroidogenic Efficacy of Translocator Protein (TSPO) Ligands: the Case Study of N,N‐Dialkyl‐2‐arylindol‐3‐ylglyoxylamides

E. Novellino, F. Da Settimo, S. Taliani, 2017, ChemMedChem.

A unique capsular polysaccharide structure from the psychrophilic marine bacterium Colwellia psychrerythraea 34H that mimics antifreeze (glyco)proteins.

E. Novellino, M. Tutino, E. Parrilli, 2015, Journal of the American Chemical Society.

A novel smaller β‐defensin‐derived peptide is active against multidrug‐resistant bacterial strains

F. Carbone, G. Matarese, F. Salvatore, 2021, FASEB journal : official publication of the Federation of American Societies for Experimental Biology.

Discovery of dihydroxyindole-2-carboxylic acid derivatives as dual allosteric HIV-1 Integrase and Reverse Transcriptase associated Ribonuclease H inhibitors.

E. Novellino, L. Naesens, R. Di Santo, 2019, Antiviral research.

Exploring the molecular basis of the enantioselective binding of penicillin G acylase towards a series of 2-aryloxyalkanoic acids: a docking and molecular dynamics study.

G. Massolini, E. Novellino, A. Lavecchia, 2007, Journal of molecular graphics & modelling.

Everolimus induces Met inactivation by disrupting the FKBP12/Met complex

R. Bianco, S. Cosconati, A. Randazzo, 2016, Oncotarget.

Ultrasound-assisted Peptide Nucleic Acids synthesis (US-PNAS)

A. Chambery, F. Merlino, S. Cosconati, 2023, Ultrasonics sonochemistry.

Unbinding of Translocator Protein 18 kDa (TSPO) Ligands: From in Vitro Residence Time to in Vivo Efficacy via in Silico Simulations.

E. Novellino, F. Da Settimo, S. Taliani, 2019, ACS chemical neuroscience.

Lead Optimization of 2-Phenylindolylglyoxylyldipeptide Murine Double Minute (MDM)2/Translocator Protein (TSPO) Dual Inhibitors for the Treatment of Gliomas.

E. Novellino, F. Da Settimo, S. Taliani, 2016, Journal of medicinal chemistry.

Deepening the Topology of the Translocator Protein Binding Site by Novel N,N-Dialkyl-2-arylindol-3-ylglyoxylamides.

E. Novellino, B. Cosimelli, G. Greco, 2015, Journal of medicinal chemistry.

Studies on enantioselectivity of chiral 4-acetylamino-6-alkyloxy-2-alkylthiopyrimidines acting as antagonists of the human A3 adenosine receptor.

E. Novellino, B. Cosimelli, G. Greco, 2018, MedChemComm.

3-aryl-[1,2,4]triazino[4,3-a]benzimidazol-4(10H)-one: a novel template for the design of highly selective A₂B adenosine receptor antagonists.

E. Novellino, B. Cosimelli, G. Greco, 2012, Journal of medicinal chemistry.

Dual MET and SMO Negative Modulators Overcome Resistance to EGFR Inhibitors in Human Nonsmall Cell Lung Cancer.

E. Novellino, S. Taliani, M. Trincavelli, 2017, Journal of medicinal chemistry.

A cyanine-based NIR fluorescent Vemurafenib analog to probe BRAFV600E in cancer cells.

L. Poliseno, F. Da Settimo, S. Taliani, 2023, European journal of medicinal chemistry.

Development of Novel Peptide-Based Michael Acceptors Targeting Rhodesain and Falcipain-2 for the Treatment of Neglected Tropical Diseases (NTDs).

J. Gut, P. Rosenthal, U. Hellmich, 2017, Journal of medicinal chemistry.

Lead Discovery of SARS-CoV-2 Main Protease Inhibitors through Covalent Docking-Based Virtual Screening

T. Schirmeister, S. Cosconati, A. Messere, 2021, J. Chem. Inf. Model..

Development of novel dipeptide nitriles as inhibitors of rhodesain of Trypanosoma brucei rhodesiense.

U. Hellmich, T. Schirmeister, S. Cosconati, 2022, European journal of medicinal chemistry.

New 2-heterocyclyl-imidazo[2,1-i]purin-5-one derivatives as potent and selective human A3 adenosine receptor antagonists.

E. Novellino, K. Varani, A. Zaid, 2011, Journal of medicinal chemistry.

3-(Fur-2-yl)-10-(2-phenylethyl)-[1,2,4]triazino[4,3-a]benzimidazol-4(10H)-one, a novel adenosine receptor antagonist with A(2A)-mediated neuroprotective effects.

F. Da Settimo, S. Taliani, M. Trincavelli, 2011, ACS chemical neuroscience.

The first sphingosine 1-phosphate lyase inhibitors against multiple sclerosis: a successful drug discovery tale.

E. Novellino, S. Cosconati, 2014, Journal of medicinal chemistry.

Template for the Design of Highly Selective A 2 B Adenosine Receptor Antagonists

E. Novellino, B. Cosimelli, G. Greco, 2012 .

Specific targeting of highly conserved residues in the HIV-1 reverse transcriptase primer grip region. 2. Stereoselective interaction to overcome the effects of drug resistant mutations.

A. Bergamini, E. Novellino, S. Zanoli, 2009, Journal of medicinal chemistry.

New nitrogen containing substituents at the indole-2-carboxamide yield high potent and broad spectrum indolylarylsulfone HIV-1 non-nucleoside reverse transcriptase inhibitors.

E. Novellino, B. Clotet, A. Coluccia, 2012, Journal of medicinal chemistry.

Protein Flexibility in Virtual Screening: The BACE-1 Case Study

David S. Goodsell, Arthur J. Olson, Ettore Novellino, 2012, J. Chem. Inf. Model..

Endogenous vs Exogenous Allosteric Modulators in GPCRs: A dispute for shuttling CB1 among different membrane microenvironments

E. Novellino, R. Silvestri, M. Stornaiuolo, 2015, Scientific Reports.

Tuning RNA Interference by Enhancing siRNA/PAZ Recognition.

E. Novellino, S. Cosconati, M. Gaglione, 2013, ACS medicinal chemistry letters.

Identification of a Protein Arginine Methyltransferase 7 (PRMT7)/Protein Arginine Methyltransferase 9 (PRMT9) Inhibitor.

G. Sbardella, S. Cosconati, S. Castellano, 2023, Journal of medicinal chemistry.

Human recombinant beta-secretase immobilized enzyme reactor for fast hits' selection and characterization from a virtual screening library.

Ettore Novellino, Luciana Marinelli, Sandro Cosconati, 2013, Journal of pharmaceutical and biomedical analysis.