List of works - Luciana Marinelli

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

scientific article published on 7 February 2012

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

scientific article published on 3 July 2012

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

scientific article published on 30 May 2011

A novel cell-permeable, selective, and noncompetitive inhibitor of KAT3 histone acetyltransferases from a combined molecular pruning/classical isosterism approach.

scientific article

A stereoselective approach to peptidomimetic BACE1 inhibitors.

scientific article published on 6 October 2013

Acetic acid aldose reductase inhibitors bearing a five-membered heterocyclic core with potent topical activity in a visual impairment rat model.

scientific article published on 2 May 2008

Apoptosis therapy in cancer: the first single-molecule co-activating p53 and the translocator protein in glioblastoma.

scientific article published on 23 April 2014

Arylsulfonamide inhibitors of aggrecanases as potential therapeutic agents for osteoarthritis: synthesis and biological evaluation

scientific article

Basic quinolinonyl diketo acid derivatives as inhibitors of HIV integrase and their activity against RNase H function of reverse transcriptase

scientific article

Benzofuroxane Derivatives as Multi-Effective Agents for the Treatment of Cardiovascular Diabetic Complications. Synthesis, Functional Evaluation, and Molecular Modeling Studies ⬇️

scientific article published on November 20, 2012

Beyond radio-displacement techniques for identification of CB1 ligands: the first application of a fluorescence-quenching assay

scientific article published on 20 January 2014

Biselectivity of isoDGR peptides for fibronectin binding integrin subtypes α5β1 and αvβ6: conformational control through flanking amino acids

scientific article

Boosting Fmoc Solid-Phase Peptide Synthesis by Ultrasonication

scientific article published on 30 July 2019

Breaking the dogma of the metal-coordinating carboxylate group in integrin ligands: introducing hydroxamic acids to the MIDAS to tune potency and selectivity

scientific article

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

scientific article

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

scientific article published on 3 March 2007

Combined inhibition of AKT/mTOR and MDM2 enhances Glioblastoma Multiforme cell apoptosis and differentiation of cancer stem cells

scientific article published on 21 April 2015

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

scientific article published on 18 September 2017

Conformational Control of Integrin-Subtype Selectivity in isoDGR Peptide Motifs: A Biological Switch

scientific article published on 01 November 2010

Conformational analysis of furanoid epsilon-sugar amino acid containing cyclic peptides by NMR spectroscopy, molecular dynamics simulation, and X-ray crystallography: evidence for a novel turn structure

scientific article published in September 2003

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

scientific article published on 28 July 2015

Design, synthesis, and biological evaluation of 1-phenylpyrazolo[3,4-e]pyrrolo[3,4-g]indolizine-4,6(1H,5H)-diones as new glycogen synthase kinase-3β inhibitors

scientific article

Design, synthesis, and biological evaluation of novel aminobisphosphonates possessing an in vivo antitumor activity through a gammadelta-T lymphocytes-mediated activation mechanism.

scientific article published on 21 October 2008

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

scientific article published on 11 October 2011

Designed Beta-Turn Mimic Based on the Allylic-Strain Concept: Evaluation of Structural and Biological Features by Incorporation into a Cyclic RGD Peptide (Cyclo(-L-arginylglycyl-L--aspartyl-))

scholarly article by Martin Sukopp et al published December 2002 in Helvetica Chimica Acta

Discovery of covalent inhibitors of glyceraldehyde-3-phosphate dehydrogenase, a target for the treatment of malaria

scientific article

Docking studies on alphavbeta3 integrin ligands: pharmacophore refinement and implications for drug design

scientific article published in October 2003

Dual Inhibition of PDK1 and Aurora Kinase A: An Effective Strategy to Induce Differentiation and Apoptosis of Human Glioblastoma Multiforme Stem Cells.

scientific article published on 31 October 2016

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

scientific article published on 8 August 2017

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

scientific article

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

scholarly article by Vittorio Limongelli et al published 11 June 2007 in ChemMedChem

Ensemble-docking approach on BACE-1: pharmacophore perception and guidelines for drug design

scientific article published in May 2007

Ethyl 8-fluoro-6-(3-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate as novel, highly potent, and safe antianxiety agent

scientific article published on 19 July 2008

Exploring the N-Terminal Region of C-X-C Motif Chemokine 12 (CXCL12): Identification of Plasma-Stable Cyclic Peptides As Novel, Potent C-X-C Chemokine Receptor Type 4 (CXCR4) Antagonists

scientific article

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

scientific article published on 27 November 2013

From a Helix to a Small Cycle: Metadynamics-Inspired αvβ6 Integrin Selective Ligands.

scientific article published on 16 April 2018

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

scientific article published on January 2012

Functional Selectivity Revealed by N-Methylation Scanning of Human Urotensin II and Related Peptides

scientific article published on 23 January 2019

Highly selective cyclic hexapeptides antagonist of GPIIb-IIIa by multiple N-methylation

scientific article published in January 2009

Homology modeling of NR2B modulatory domain of NMDA receptor and analysis of ifenprodil binding

scientific article published on October 2007

Human integrin alphavbeta5: homology modeling and ligand binding

scientific article

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

scientific article

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

scientific article published on 08 April 2011

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

scientific article published in June 2009

Identification of glycogen synthase kinase-3 inhibitors with a selective sting for glycogen synthase kinase-3α.

scientific article published on May 2012

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

article

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

scientific article

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

scientific article

Interfering with HuR-RNA Interaction: Design, Synthesis and Biological Characterization of Tanshinone Mimics as Novel, Effective HuR Inhibitors

scientific article published on 9 January 2018

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

scientific article

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

scientific article published on 9 May 2013

Ligand binding analysis for human alpha5beta1 integrin: strategies for designing new alpha5beta1 integrin antagonists

scientific article published in June 2005

Ligand-Based NMR Study of C-X-C Chemokine Receptor Type 4 (CXCR4)-Ligand Interactions on Living Cancer Cells

scientific article published on 9 March 2018

Locking PDK1 in DFG-out conformation through 2-oxo-indole containing molecules: Another tools to fight glioblastoma

scientific article published on 20 April 2016

Long lasting MDM2/Translocator protein modulator: a new strategy for irreversible apoptosis of human glioblastoma cells

scientific article published on 09 January 2016

Long lasting inhibition of Mdm2-p53 interaction potentiates mesenchymal stem cell differentiation into osteoblasts

scientific article published on 28 January 2019

Molecular basis of cyclooxygenase enzymes (COXs) selective inhibition

scientific article

Multiple N-methylation by a designed approach enhances receptor selectivity

scientific article published in November 2007

N-Methylation of isoDGR Peptides: Discovery of a Selective α5β1-Integrin Ligand as a Potent Tumor Imaging Agent

scientific article published on 06 March 2018

N-O-Isopropyl Sulfonamido-Based Hydroxamates: Design, Synthesis and Biological Evaluation of Selective Matrix Metalloproteinase-13 Inhibitors as Potential Therapeutic Agents for Osteoarthritis

article

N-O-Isopropyl sulfonamido-based hydroxamates: Kinetic characterisation of a series of MMP-12/MMP-13 dual target inhibitors

scientific article published in 2012

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

scientific article

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

scientific article published on 28 June 2011

New Indole Tubulin Assembly Inhibitors Cause Stable Arrest of Mitotic Progression, Enhanced Stimulation of Natural Killer Cell Cytotoxic Activity, and Repression of Hedgehog-Dependent Cancer

scientific article

New insight into the central benzodiazepine receptor-ligand interactions: design, synthesis, biological evaluation, and molecular modeling of 3-substituted 6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepines and related compounds

scientific article published on 27 July 2011

Non-nucleoside inhibitors of human adenosine kinase: synthesis, molecular modeling, and biological studies.

scientific article published on 14 February 2011

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

scientific article published on May 2010

Novel Peptide-Based PET Probe for Non-invasive Imaging of C-X-C Chemokine Receptor Type 4 (CXCR4) in Tumors

scientific article published in 2021

Novel bifunctional quinolonyl diketo acid derivatives as HIV-1 integrase inhibitors: design, synthesis, biological activities, and mechanism of action

scientific article published on March 2006

Novel peptidomimetics as BACE-1 inhibitors: Synthesis, molecular modeling, and biological studies

scientific article published on 14 November 2012

Novel quinolinonyl diketo acid derivatives as HIV-1 integrase inhibitors: design, synthesis, and biological activities

scientific article published on 23 July 2008

Overcoming the Lack of Oral Availability of Cyclic Hexapeptides: Design of a Selective and Orally Available Ligand for the Integrin αvβ3.

scientific article

Pharmacological folding chaperones act as allosteric ligands of Frizzled4.

scientific article

Pharmacophoric modifications lead to superpotent αvβ3 integrin ligands with suppressed α5β1 activity

scientific article

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

scientific article published on 16 September 2013

Potent arylsulfonamide inhibitors of tumor necrosis factor-alpha converting enzyme able to reduce activated leukocyte cell adhesion molecule shedding in cancer cell models

scientific article

Probing Integrin Selectivity: Rational Design of Highly Active and Selective Ligands for the α5β1 and αvβ3 Integrin Receptor

scientific article published on 01 January 2007

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

scientific article published on 05 March 2012

Protein flexibility in virtual screening: the BACE-1 case study

scientific article

Pursuing Aldose Reductase Inhibitors through in Situ Cross-Docking and Similarity-Based Virtual Screening

scientific article published on 01 September 2009

Rational improvement of the affinity and selectivity of integrin binding of grafted lasso peptides

scientific article

Receptor-Bound Conformation of Cilengitide Better Represented by Its Solution-State Structure than the Solid-State Structure

scientific article published on 22 September 2014

Sampling protein motion and solvent effect during ligand binding

scientific article published on 11 January 2012

Selective Targeting of Integrin αvβ8 by a Highly Active Cyclic Peptide

scientific article published on 06 February 2019

Selective arylsulfonamide inhibitors of ADAM-17: hit optimization and activity in ovarian cancer cell models

scientific article published on 4 October 2013

Shading the TRF2 Recruiting Function: A New Horizon in Drug Development

article

Shooting for Selective Druglike G-Quadruplex Binders: Evidence for Telomeric DNA Damage and Tumor Cell Death

article

Simultaneous Targeting of RGD-Integrins and Dual Murine Double Minute Proteins in Glioblastoma Multiforme.

scientific article

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

scientific article published in February 2009

Stable Peptides Instead of Stapled Peptides: Highly Potent αvβ6-Selective Integrin Ligands

scientific article published on 9 December 2015

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

scientific article published on January 2012

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

scientific article

Structure-Activity Relationships and Biological Characterization of a Novel, Potent, and Serum Stable C-X-C Chemokine Receptor Type 4 (CXCR4) Antagonist

scientific article published on 10 November 2017

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

scientific article published on 17 March 2014

Structure-activity relationship studies optimizing the antiproliferative activity of novel cyclic somatostatin analogues containing a restrained cyclic beta-amino acid

scientific article

Structure-based lead optimization and biological evaluation of BAX direct activators as novel potential anticancer agents.

scientific article published on 25 February 2015

Structure-based optimization of tyrosine kinase inhibitor CLM3. Design, synthesis, functional evaluation, and molecular modeling studies

scientific article published on 5 February 2014

Syntheses, biological evaluation, and molecular modeling of 18F-labeled 4-anilidopiperidines as mu-opioid receptor imaging agents

scientific article published in December 2005

Synthesis and NMR Structure of Peptidomimetic α4β7-Integrin Antagonists

scientific article published on 01 June 2002

Synthesis and biological evaluation in U87MG glioma cells of (ethynylthiophene)sulfonamido-based hydroxamates as matrix metalloproteinase inhibitors

scientific article published on 2 April 2011

Synthesis and biological evaluation of CTP synthetase inhibitors as potential agents for the treatment of African trypanosomiasis

scientific article published on 2 August 2012

Synthesis, biological activity and molecular modeling of new biphenylic carboxamides as potent and selective CB2 receptor ligands

scientific article published on 02 December 2014

Tailoring of Integrin Ligands: Probing the Charge Capability of the Metal Ion-Dependent Adhesion Site

scientific article published on 09 January 2012

Tandem Application of Virtual Screening and NMR Experiments in the Discovery of Brand New DNA Quadruplex Groove Binders

scientific article published in 2009

The G-Triplex DNA

The ring residue proline 8 is crucial for the thermal stability of the lasso peptide caulosegnin II

scientific article

Urotensin-II receptor ligands. From agonist to antagonist activity

scientific article published in November 2005

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

scientific article published on 18 May 2012

p53 functional inhibitors behaving like pifithrin-β counteract the Alzheimer peptide non-β-amyloid component effects in human SH-SY5Y cells

scientific article published on 28 March 2014

List of works by Luciana Marinelli

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

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

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

A novel cell-permeable, selective, and noncompetitive inhibitor of KAT3 histone acetyltransferases from a combined molecular pruning/classical isosterism approach.

A stereoselective approach to peptidomimetic BACE1 inhibitors.

Acetic acid aldose reductase inhibitors bearing a five-membered heterocyclic core with potent topical activity in a visual impairment rat model.

Apoptosis therapy in cancer: the first single-molecule co-activating p53 and the translocator protein in glioblastoma.

Arylsulfonamide inhibitors of aggrecanases as potential therapeutic agents for osteoarthritis: synthesis and biological evaluation

Basic quinolinonyl diketo acid derivatives as inhibitors of HIV integrase and their activity against RNase H function of reverse transcriptase

Benzofuroxane Derivatives as Multi-Effective Agents for the Treatment of Cardiovascular Diabetic Complications. Synthesis, Functional Evaluation, and Molecular Modeling Studies ⬇️

Beyond radio-displacement techniques for identification of CB1 ligands: the first application of a fluorescence-quenching assay

Biselectivity of isoDGR peptides for fibronectin binding integrin subtypes α5β1 and αvβ6: conformational control through flanking amino acids

Boosting Fmoc Solid-Phase Peptide Synthesis by Ultrasonication

Breaking the dogma of the metal-coordinating carboxylate group in integrin ligands: introducing hydroxamic acids to the MIDAS to tune potency and selectivity

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

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

Combined inhibition of AKT/mTOR and MDM2 enhances Glioblastoma Multiforme cell apoptosis and differentiation of cancer stem cells

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

Conformational Control of Integrin-Subtype Selectivity in isoDGR Peptide Motifs: A Biological Switch

Conformational analysis of furanoid epsilon-sugar amino acid containing cyclic peptides by NMR spectroscopy, molecular dynamics simulation, and X-ray crystallography: evidence for a novel turn structure

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

Design, synthesis, and biological evaluation of 1-phenylpyrazolo[3,4-e]pyrrolo[3,4-g]indolizine-4,6(1H,5H)-diones as new glycogen synthase kinase-3β inhibitors

Design, synthesis, and biological evaluation of novel aminobisphosphonates possessing an in vivo antitumor activity through a gammadelta-T lymphocytes-mediated activation mechanism.

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

Designed Beta-Turn Mimic Based on the Allylic-Strain Concept: Evaluation of Structural and Biological Features by Incorporation into a Cyclic RGD Peptide (Cyclo(-L-arginylglycyl-L--aspartyl-))

Discovery of covalent inhibitors of glyceraldehyde-3-phosphate dehydrogenase, a target for the treatment of malaria

Docking studies on alphavbeta3 integrin ligands: pharmacophore refinement and implications for drug design

Dual Inhibition of PDK1 and Aurora Kinase A: An Effective Strategy to Induce Differentiation and Apoptosis of Human Glioblastoma Multiforme Stem Cells.

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

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

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

Ensemble-docking approach on BACE-1: pharmacophore perception and guidelines for drug design

Ethyl 8-fluoro-6-(3-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate as novel, highly potent, and safe antianxiety agent

Exploring the N-Terminal Region of C-X-C Motif Chemokine 12 (CXCL12): Identification of Plasma-Stable Cyclic Peptides As Novel, Potent C-X-C Chemokine Receptor Type 4 (CXCR4) Antagonists

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

From a Helix to a Small Cycle: Metadynamics-Inspired αvβ6 Integrin Selective Ligands.

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

Functional Selectivity Revealed by N-Methylation Scanning of Human Urotensin II and Related Peptides

Highly selective cyclic hexapeptides antagonist of GPIIb-IIIa by multiple N-methylation

Homology modeling of NR2B modulatory domain of NMDA receptor and analysis of ifenprodil binding

Human integrin alphavbeta5: homology modeling and ligand binding

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

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

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

Identification of glycogen synthase kinase-3 inhibitors with a selective sting for glycogen synthase kinase-3α.

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

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

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

Interfering with HuR-RNA Interaction: Design, Synthesis and Biological Characterization of Tanshinone Mimics as Novel, Effective HuR Inhibitors

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

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

Ligand binding analysis for human alpha5beta1 integrin: strategies for designing new alpha5beta1 integrin antagonists

Ligand-Based NMR Study of C-X-C Chemokine Receptor Type 4 (CXCR4)-Ligand Interactions on Living Cancer Cells

Locking PDK1 in DFG-out conformation through 2-oxo-indole containing molecules: Another tools to fight glioblastoma

Long lasting MDM2/Translocator protein modulator: a new strategy for irreversible apoptosis of human glioblastoma cells

Long lasting inhibition of Mdm2-p53 interaction potentiates mesenchymal stem cell differentiation into osteoblasts

Molecular basis of cyclooxygenase enzymes (COXs) selective inhibition

Multiple N-methylation by a designed approach enhances receptor selectivity

N-Methylation of isoDGR Peptides: Discovery of a Selective α5β1-Integrin Ligand as a Potent Tumor Imaging Agent

N-O-Isopropyl Sulfonamido-Based Hydroxamates: Design, Synthesis and Biological Evaluation of Selective Matrix Metalloproteinase-13 Inhibitors as Potential Therapeutic Agents for Osteoarthritis

N-O-Isopropyl sulfonamido-based hydroxamates: Kinetic characterisation of a series of MMP-12/MMP-13 dual target inhibitors

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

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

New Indole Tubulin Assembly Inhibitors Cause Stable Arrest of Mitotic Progression, Enhanced Stimulation of Natural Killer Cell Cytotoxic Activity, and Repression of Hedgehog-Dependent Cancer

New insight into the central benzodiazepine receptor-ligand interactions: design, synthesis, biological evaluation, and molecular modeling of 3-substituted 6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepines and related compounds

Non-nucleoside inhibitors of human adenosine kinase: synthesis, molecular modeling, and biological studies.

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

Novel Peptide-Based PET Probe for Non-invasive Imaging of C-X-C Chemokine Receptor Type 4 (CXCR4) in Tumors

Novel bifunctional quinolonyl diketo acid derivatives as HIV-1 integrase inhibitors: design, synthesis, biological activities, and mechanism of action

Novel peptidomimetics as BACE-1 inhibitors: Synthesis, molecular modeling, and biological studies

Novel quinolinonyl diketo acid derivatives as HIV-1 integrase inhibitors: design, synthesis, and biological activities

Overcoming the Lack of Oral Availability of Cyclic Hexapeptides: Design of a Selective and Orally Available Ligand for the Integrin αvβ3.

Pharmacological folding chaperones act as allosteric ligands of Frizzled4.

Pharmacophoric modifications lead to superpotent αvβ3 integrin ligands with suppressed α5β1 activity

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

Potent arylsulfonamide inhibitors of tumor necrosis factor-alpha converting enzyme able to reduce activated leukocyte cell adhesion molecule shedding in cancer cell models

Probing Integrin Selectivity: Rational Design of Highly Active and Selective Ligands for the α5β1 and αvβ3 Integrin Receptor

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

Protein flexibility in virtual screening: the BACE-1 case study