List of works by Maurizio Botta

'Click' synthesis of a triazole-based inhibitor of Met functions in cancer cells.

scientific article

(Thia)calixarenephosphonic Acids as Potent Inhibitors of the Nucleic Acid Chaperone Activity of the HIV-1 Nucleocapsid Protein with a New Binding Mode and Multitarget Antiviral Activity

scientific article published on 21 February 2020

1,5-Diaryl-2-ethyl pyrrole derivatives as antimycobacterial agents: design, synthesis, and microbiological evaluation.

scientific article published on 13 June 2009

1,5-Diarylpyrrole-3-acetic acids and esters as novel classes of potent and highly selective cyclooxygenase-2 inhibitors

scientific article

1,5-Diphenylpyrrole derivatives as antimycobacterial agents. Probing the influence on antimycobacterial activity of lipophilic substituents at the phenyl rings.

scientific article published in June 2008

1-[(3-Aryloxy-3-aryl)propyl]-1H-imidazoles, new imidazoles with potent activity against Candida albicans and dermatophytes. Synthesis, structure-activity relationship, and molecular modeling studies

scientific article

2-Aminothiazolones as anti-HIV agents that act as gp120-CD4 inhibitors.

scientific article published on 10 March 2014

2-Hydroxypropyl-β-cyclodextrin strongly improves water solubility and anti-proliferative activity of pyrazolo[3,4-d]pyrimidines Src-Abl dual inhibitors.

scientific article published on 8 October 2010

3-Arylidene-N-hydroxyoxindoles: A New Class of Compounds Endowed with Antitumor Activity

scientific article published on 17 June 2016

3D QSAR models built on structure-based alignments of Abl tyrosine kinase inhibitors

scientific article published on June 2009

3D QSAR models of interactions between beta-tubulin and microtubule stabilizing antimitotic agents (MSAA): a survey on taxanes and epothilones.

scientific article published on January 2004

3D QSAR studies for the beta-tubulin binding site of microtubule-stabilizing anticancer agents (MSAAs): a pseudoreceptor model for taxanes based on the experimental structure of tubulin

scientific article

3D QSAR studies of the interaction between beta-tubulin and microtubule stabilizing antimitotic agents (MSAA). A combined pharmacophore generation and pseudoreceptor modeling approach applied to taxanes and epothilones

scientific article published in May 2003

4,6-Diphenylpyridines as Promising Novel Anti-Influenza Agents Targeting the PA-PB1 Protein-Protein Interaction: Structure-Activity Relationships Exploration with the Aid of Molecular Modeling

scientific article

5,6-Dihydroxypyrimidine Scaffold to Target HIV-1 Nucleocapsid Protein

scientific article published on 19 March 2020

A Combination of Molecular Dynamics and Docking Calculations to Explore the Binding Mode of ADS-J1, a Polyanionic Compound Endowed with Anti-HIV-1 Activity

article

A Domino Microwave-Assisted Protocol for the Synthesis of 2,6-Disubstituted Pyrimidinones

A Molecular Tool Targeting the Base-Flipping Activity of Human UHRF1

scientific article published on 13 September 2019

A New Strategy for Glioblastoma Treatment: In Vitro and In Vivo Preclinical Characterization of Si306, a Pyrazolo[3,4-]Pyrimidine Dual Src/P-Glycoprotein Inhibitor

scientific article published on 19 June 2019

A Novel Route to Calix[4]arenes. 2. Solution- and Solid-State Structural Analyses and Molecular Modeling Studies

scientific article published in March 1994

A Pyrazolo[3,4-d]pyrimidine Compound Reduces Cell Viability and Induces Apoptosis in Different Hematological Malignancies

scientific article published on 7 November 2016

A Pyrazolo[3,4-d]pyrimidine compound inhibits Fyn phosphorylation and induces apoptosis in natural killer cell leukemia

scientific article published on 22 August 2016

A Versatile Route to C-6 Arylmethyl-FunctionalizedS-DABO and Related Analogues

scientific article published on 11 July 2007

A chalcone derivative binds a putative allosteric site of YopH: Inhibition of a virulence factor of Yersinia

scientific article published on 12 June 2020

A combination of docking/dynamics simulations and pharmacophoric modeling to discover new dual c-Src/Abl kinase inhibitors

scientific article published on 01 June 2006

A combination strategy to inhibit Pim-1: synergism between noncompetitive and ATP-competitive inhibitors.

scientific article published on March 2013

A combined targeted/phenotypic approach for the identification of new antiangiogenics agents active on a zebrafish model: from in silico screening to cyclodextrin formulation

scientific article

A dynamic target-based pharmacophoric model mapping the CD4 binding site on HIV-1 gp120 to identify new inhibitors of gp120-CD4 protein-protein interactions

scientific article published on 13 September 2009

A fast virtual screening approach to identify structurally diverse inhibitors of trypanothione reductase

scientific article published on 19 July 2011

A genetic-function-approximation-based QSAR model for the affinity of arylpiperazines toward alpha1 adrenoceptors.

scientific article published in May 2006

A multidisciplinary approach for the identification of novel HIV-1 non-nucleoside reverse transcriptase inhibitors: S-DABOCs and DAVPs

scientific article

A new and efficient synthesis of substituted 6-[(2'-dialkylamino)ethyl] pyrimidine and 4-N,N-dialkyl-6-vinyl-cytosine derivatives and evaluation of their anti-rubella activity.

scientific article published in July 2002

A new linker for anchoring/masking primary amines on solid support

scientific article published on 01 February 2005

A new nonpeptidic inhibitor of 14-3-3 induces apoptotic cell death in chronic myeloid leukemia sensitive or resistant to imatinib

scientific article published on November 2010

A one-pot, two-step microwave-assisted synthesis of highly functionalized benzoxazoles using solid-supported reagents (SSRs)

A unique domain for a unique target: selective inhibitors of host cell DDX3X to fight emerging viruses

scientific article published on 30 July 2020

A versatile and practical synthesis toward the development of novel HIV-1 integrase inhibitors

scientific article published on 18 January 2011

Alkyl-guanidine Compounds as Potent Broad-Spectrum Antibacterial Agents: Chemical Library Extension and Biological Characterization

article

Alkyne-enol ether cross-metathesis in the presence of CuSO(4): direct formation of 3-substituted crotonaldehydes in aqueous medium

scientific article

Allosteric inhibitors of Bcr-Abl: towards novel myristate-pocket binders

scientific article published on January 2013

Alpha(1)-adrenoceptor antagonists. 4. Pharmacophore-based design, synthesis, and biological evaluation of new imidazo-, benzimidazo-, and indoloarylpiperazine derivatives

scientific article published in August 2002

Alpha1-adrenoceptor antagonists. 6. Structural optimization of pyridazinone-arylpiperazines. Study of the influence on affinity and selectivity of cyclic substituents at the pyridazinone ring and alkoxy groups at the arylpiperazine moiety

scientific article published in July 2003

An alternative synthetic approach for the synthesis of biologically relevant 1,4-disubstituted pyrazolo[3,4-d]pyrimidines

An update on dual Src/Abl inhibitors

scientific article

Analysis of guazatine mixture by LC and LC–MS and antimycotic activity determination of principal components

article

Anti-inflammatory activity of a new class of nitric oxide synthase inhibitors that release nitric oxide

scientific article

Antifungal agents. 10. New derivatives of 1-[(aryl)[4-aryl-1H-pyrrol-3-yl]methyl]-1H-imidazole, synthesis, anti-candida activity, and quantitative structure-analysis relationship studies

scientific article

Antihypertensive, cardio- and neuro-protective effects of Tenebrio molitor (Coleoptera: Tenebrionidae) defatted larvae in spontaneously hypertensive rats

scientific article published on 29 May 2020

Antimycobacterial Agents. Novel Diarylpyrrole Derivatives of BM212 Endowed with High Activity toward Mycobacterium tuberculosis and Low Cytotoxicity

scientific article published on 01 August 2006

Antiproliferative activity of new 1-aryl-4-amino-1H-pyrazolo[3,4-d]pyrimidine derivatives toward the human epidermoid carcinoma A431 cell line

scientific article

Antiproliferative and pro-apoptotic effects afforded by novel Src-kinase inhibitors in human neuroblastoma cells

scientific article published on 4 November 2010

Antiproliferative and proapoptotic activities of new pyrazolo[3,4-d]pyrimidine derivative Src kinase inhibitors in human osteosarcoma cells

scientific article

Antitumor activity of new pyrazolo[3,4-d]pyrimidine SRC kinase inhibitors in Burkitt lymphoma cell lines and its enhancement by WEE1 inhibition

scientific article

Arylation of 2-Furyl 4-Fluorophenyl Ketone: An Extension of Heck Chemistry towards Novel Integrase Inhibitors

AuNP Pyrazolo[3,4-d]pyrimidine Nanosystem in Combination with Radiotherapy against Glioblastoma

scientific article published on 05 March 2020

Binding Mode and Selectivity of Steroids towards Glucose-6-phosphate Dehydrogenase from the Pathogen Trypanosoma cruzi.

scientific article published on 17 March 2016

Biological Characterization and in Vivo Assessment of the Activity of a New Synthetic Macrocyclic Antifungal Compound

scientific article published on 5 April 2016

Biologically driven synthesis of pyrazolo[3,4-d]pyrimidines as protein kinase inhibitors: an old scaffold as a new tool for medicinal chemistry and chemical biology studies

scientific article published on 29 May 2014

C6-unsubstituted pyrazolo[3,4-d]pyrimidines are dual Src/Abl inhibitors effective against imatinib mesylate resistant chronic myeloid leukemia cell lines

scientific article

CYP-dependent metabolism of antitumor pyrazolo[3,4-d]pyrimidine derivatives is characterized by an oxidative dechlorination reaction.

scientific article

Caracasanamide, a novel hypotensive agent from Verbesina caracasana

scientific article published on 25 July 2002

Caracasandiamide, a truxinic hypotensive agent from Verbesina caracasana

scientific article published on 12 May 2003

Chemically stable inhibitors of 14-3-3 protein-protein interactions derived from BV02

scientific article published on 01 December 2019

Chiral recognition by resorcin[4]arene receptors: intrinsic kinetics and dynamics

scientific article published in September 2004

Click Reaction as a Tool to Combine Pharmacophores: The Case of Vismodegib

scientific article published on 27 February 2015

Combinatorial chemistry as a tool for targeting different stages of the replicative HIV-1 cycle.

scientific article

Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma

scientific article

Computational comparison of microtubule-stabilising agents laulimalide and peloruside with taxol and colchicine

scientific article

Computational studies identifying entry inhibitor scaffolds targeting the Phe43 cavity of HIV-1 gp120.

scientific article published on 12 February 2013

Computational studies of the interaction between the HIV‐1 integrase tetramer and the cofactor LEDGF/p75: Insights from molecular dynamics simulations and the Informational spectrum method ⬇️

scientific article published on September 27, 2010

Computational techniques are valuable tools for the discovery of protein-protein interaction inhibitors: the 14-3-3σ case

scientific article

Construction and validation of a RET TK catalytic domain by homology modeling

scientific article

Crystal structure of HIV-1 reverse transcriptase bound to a non-nucleoside inhibitor with a novel mechanism of action

scientific article

Crystal structure of the OXA-48 beta-lactamase reveals mechanistic diversity among class D carbapenemases

scientific article

Cyclic Dipeptides. 3.(1) Synthesis of Methyl (R)-6-[(tert-Butoxycarbonyl)amino]-4,5,6,7- tetrahydro-2-methyl-5-oxo-1,4-thiazepine-3-carboxylate and Its Hexahydro Analogues: Elaboration of a Novel Dual ACE/NEP Inhibitor

scientific article published on 01 April 1999

Cyclooxygenase-2 inhibitors. 1,5-diarylpyrrol-3-acetic esters with enhanced inhibitory activity toward cyclooxygenase-2 and improved cyclooxygenase-2/cyclooxygenase-1 selectivity

scientific article

DDX3X Helicase Inhibitors as a New Strategy To Fight the West Nile Virus Infection

scientific article published on 21 February 2019

DDX3X inhibitors, an effective way to overcome HIV-1 resistance targeting host proteins

scientific article published on 07 May 2020

Design and synthesis of a novel inhibitor of T. Viride chitinase through an in silico target fishing protocol.

scientific article published on 10 June 2017

Design and synthesis of thiadiazoles and thiazoles targeting the Bcr-Abl T315I mutant: from docking false positives to ATP-noncompetitive inhibitors

scientific article published in August 2010

Design, synthesis, SAR and biological investigation of 3-(carboxymethyl)rhodanine and aminothiazole inhibitors of Mycobacterium tuberculosis Zmp1.

scientific article published on 30 January 2018

Design, synthesis, and alpha(1)-adrenoceptor binding properties of new arylpiperazine derivatives bearing a flavone nucleus as the terminal heterocyclic molecular portion

scientific article published in March 2004

Design, synthesis, and biological evaluation of pyrazolo[3,4-d]pyrimidines active in vivo on the Bcr-Abl T315I mutant.

scientific article

Design, synthesis, biological activity, and ADME properties of pyrazolo[3,4-d]pyrimidines active in hypoxic human leukemia cells: a lead optimization study.

scientific article

Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data

scientific article

Developing pyrrole-derived antimycobacterial agents: a rational lead optimization approach

scientific article published on 21 February 2011

Development and in Vitro Evaluation of a Microbicide Gel Formulation for a Novel Non-Nucleoside Reverse Transcriptase Inhibitor Belonging to the N-Dihydroalkyloxybenzyloxopyrimidines (N-DABOs) Family

scientific article published on 20 February 2016

Development of an AlphaScreen-based HIV-1 integrase dimerization assay for discovery of novel allosteric inhibitors

scientific article published on 14 February 2012

Dietary fatty acids influence the growth and fatty acid composition of the yellow mealworm Tenebrio molitor (Coleoptera: Tenebrionidae).

scientific article published on 12 January 2017

Differentially activated Src kinase in chemo-naïve human primary osteosarcoma cells and effects of a Src kinase inhibitor.

scientific article published on 8 August 2017

Dihydro-alkylthio-benzyl-oxopyrimidines as inhibitors of reverse transcriptase: synthesis and rationalization of the biological data on both wild-type enzyme and relevant clinical mutants.

scientific article

Discovery and SAR of 1,3,4-thiadiazole derivatives as potent Abl tyrosine kinase inhibitors and cytodifferentiating agents

scientific article

Discovery and synthesis of novel benzofurazan derivatives as inhibitors of influenza A virus

scientific article published on 17 August 2013

Discovery of 14-3-3 protein-protein interaction inhibitors that sensitize multidrug-resistant cancer cells to doxorubicin and the Akt inhibitor GSK690693.

scientific article

Discovery of Mycobacterium tuberculosis protein tyrosine phosphatase B (PtpB) inhibitors from natural products

scientific article (publication date: 2013)

Discovery of Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase Competing with the Nucleotide Substrate

article

Discovery of chiral cyclopropyl dihydro-alkylthio-benzyl-oxopyrimidine (S-DABO) derivatives as potent HIV-1 reverse transcriptase inhibitors with high activity against clinically relevant mutants

scientific article

Discovery of in vitro antitubercular agents through in silico ligand-based approaches.

scientific article

Discovery of new therapeutic targets by the informational spectrum method

scientific article published on October 2008

Discovery of small molecule HIV-1 integrase dimerization inhibitors

scientific article published on 21 March 2012

Discovery of small molecule inhibitors of Leishmania braziliensis Hsp90 chaperone

scientific article published on 01 December 2020

Discovery of the first potent and selective Mycobacterium tuberculosis Zmp1 inhibitor

scientific article

Discovery of the first small molecule inhibitor of human DDX3 specifically designed to target the RNA binding site: towards the next generation HIV-1 inhibitors.

scientific article

Docking, 3D-QSAR studies and in silico ADME prediction on c-Src tyrosine kinase inhibitors

scientific article published on 11 July 2008

Dual SMO/BRAF Inhibition by Flavonolignans from Silybum marianum †

scientific article published on 05 May 2020

Dual Src and Abl inhibitors target wild type Abl and the AblT315I Imatinib-resistant mutant with different mechanisms

scientific article published on 18 April 2010

Efficient optimization of pyrazolo[3,4-d]pyrimidines derivatives as c-Src kinase inhibitors in neuroblastoma treatment

scientific article published on 20 September 2018

Enantioselective guest exchange in a chiral resorcin[4]arene cavity

scientific article published in July 2002

Evaluation of novel epothilone analogues by means of a common pharmacophore and a QSAR pseudoreceptor model for taxanes and epothilones

scientific article published on 01 January 2010

Exploration of novel thiobarbituric acid-, rhodanine- and thiohydantoin-based HIV-1 integrase inhibitors

scientific article

Exploring the Implication of DDX3X in DENV Infection: Discovery of the First-in-Class DDX3X Fluorescent Inhibitor

scientific article published on 09 April 2020

Exploring the chemical space around the privileged pyrazolo[3,4-d]pyrimidine scaffold: toward novel allosteric inhibitors of T315I-mutated Abl.

scientific article

Flattened cone 2,8,14,20-tetrakis(L-valinamido)[4]resorcinarene: an enantioselective allosteric receptor in the gas phase

scientific article published in April 2006

Flavin-containing polyamine oxidase is a hydrogen peroxide source in the oxidative response to the protein phosphatase inhibitor cantharidin in Zea mays L

scientific article published on 01 January 2006

Free Energy Profile and Kinetics Studies of Paclitaxel Internalization from the Outer to the Inner Wall of Microtubules.

scientific article published on 16 November 2012

From taxuspine x to structurally simplified taxanes with remarkable p-glycoprotein inhibitory activity.

scientific article published on 15 July 2010

Functional and structural characterization of 2-amino-4-phenylthiazole inhibitors of the HIV-1 nucleocapsid protein with antiviral activity.

scientific article published on 7 July 2014

Gas-phase enantioselectivity of chiral amido[4]resorcinarene receptors

scientific article published on 01 October 2006

Gli1/DNA interaction is a druggable target for Hedgehog-dependent tumors.

scientific article

Guanylated diamines, triamines, and polyamines: chemistry and biological properties

scientific article published on 09 June 2011

HIV-1 RT Inhibitors with a Novel Mechanism of Action: NNRTIs that Compete with the Nucleotide Substrate

scientific article

Hematopoietic cell kinase (HCK) is a potential therapeutic target for dysplastic and leukemic cells due to integration of erythropoietin/PI3K pathway and regulation of erythropoiesis: HCK in erythropoietin/PI3K pathway.

scientific article published on 10 November 2016

High-throughput docking for the identification of new influenza A virus polymerase inhibitors targeting the PA-PB1 protein-protein interaction.

scientific article published on 21 November 2013

Hit Recycling: Discovery of a Potent Carbonic Anhydrase Inhibitor by in Silico Target Fishing.

scientific article published in July 2015

Homology Model-Based Virtual Screening for the Identification of Human Helicase DDX3 Inhibitors

scientific article published on 6 November 2015

Human DDX3 protein is a valuable target to develop broad spectrum antiviral agents

scientific article published on 26 April 2016

Identification of Aminoimidazole and Aminothiazole Derivatives as Src Family Kinase Inhibitors

scientific article published on 30 October 2015

Identification of Hck inhibitors as hits for the development of antileukemia and anti-HIV agents

scientific article

Identification of Phosphate-Containing Compounds as New Inhibitors of 14-3-3/c-Abl Protein-Protein Interaction

scientific article published on 20 March 2020

Identification of a new family of pyrazolo[3,4-d]pyrimidine derivatives as multitarget Fyn-Blk-Lyn inhibitors active on B- and T-lymphoma cell lines

scientific article published on 18 July 2019

Identification of a novel pyrazolo[3,4-d]pyrimidine able to inhibit cell proliferation of a human osteogenic sarcoma in vitro and in a xenograft model in mice

scientific article

Identification of a novel pyrrole derivative endowed with antimycobacterial activity and protection index comparable to that of the current antitubercular drugs streptomycin and rifampin

scientific article published on 19 September 2010

Identification of new aminoacid amides containing the imidazo[2,1-b]benzothiazol-2-ylphenyl moiety as inhibitors of tumorigenesis by oncogenic Met signaling

scientific article

Identification of novel 2-benzoxazolinone derivatives with specific inhibitory activity against the HIV-1 nucleocapsid protein

scientific article published on 24 December 2017

Identification of potent c-Src inhibitors strongly affecting the proliferation of human neuroblastoma cells.

scientific article

Identification of the first non-peptidic small molecule inhibitor of the c-Abl/14-3-3 protein–protein interactions able to drive sensitive and Imatinib-resistant leukemia cells to apoptosis ⬇️

scientific article published on August 8, 2010

Identification, synthesis and biological activity of alkyl-guanidine oligomers as potent antibacterial agents.

scientific article published on 15 August 2017

Improved BM212 MmpL3 inhibitor analogue shows efficacy in acute murine model of tuberculosis infection

scientific article

Improvement of pyrazolo[3,4-d]pyrimidines pharmacokinetic properties: nanosystem approaches for drug delivery

scientific article published on 22 February 2016

In vitro characterization, ADME analysis, and histological and toxicological evaluation of BM1, a macrocyclic amidinourea active against azole-resistant Candida strains

scientific article published on 20 December 2019

Indolyl-pyrrolone as a new scaffold for Pim1 inhibitors

scientific article

Indolylarylsulfones carrying a heterocyclic tail as very potent and broad spectrum HIV-1 non-nucleoside reverse transcriptase inhibitors

scientific article published on 24 November 2014

Inhibition of Bcr-Abl phosphorylation and induction of apoptosis by pyrazolo[3,4-d]pyrimidines in human leukemia cells

scientific article published on March 2007

Inhibition of HIV-1 Reverse Transcriptase Dimerization by Small Molecules

scientific article

Inhibition of Leishmania infantum trypanothione reductase by azole-based compounds: a comparative analysis with its physiological substrate by X-ray crystallography

scientific article

Inhibition of para-Hydroxyphenylpyruvate Dioxygenase by Analogues of the Herbicide Nitisinone As a Strategy to Decrease Homogentisic Acid Levels, the Causative Agent of Alkaptonuria.

scientific article

Inhibition of polyamine and spermine oxidases by polyamine analogues.

scientific article published in March 2006

Inhibitors of human immunodeficiency virus-1 replication targeting the human DEAD-box polypeptide 3 (DDX3) RNA helicase

Insight into the allosteric inhibition of Abl kinase

scientific article published on 8 May 2014

Investigation on the sucrose binding pocket of HIV-1 Integrase by molecular dynamics and synergy experiments

scientific article published on 15 May 2015

Investigations on the 4-quinolone-3-carboxylic acid motif. 1. Synthesis and structure-activity relationship of a class of human immunodeficiency virus type 1 integrase inhibitors

scientific article

Involvement of polyamine oxidase in wound healing.

scientific article published on 9 November 2007

Kuwanon-L as a New Allosteric HIV-1 Integrase Inhibitor: Molecular Modeling and Biological Evaluation

scientific article published on 11 September 2015

LC/ESI/MS method for the quantitative detection of guazatine residues in cereals

scientific article published on 25 July 2007

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

scientific article

Lennard-Jones potential and dummy atom settings to overcome the AUTODOCK limitation in treating flexible ring systems

scientific article published on 22 June 2007

Ligand-based virtual screening, parallel solution-phase and microwave-assisted synthesis as tools to identify and synthesize new inhibitors of mycobacterium tuberculosis

scientific article

Microwave-Assisted Acylation of Amines, Alcohols, and Phenols by the Use of Solid-Supported Reagents (SSRs)

scientific article published on 01 November 2004

Microwave-assisted organocatalytic multicomponent Knoevenagel/hetero Diels–Alder reaction for the synthesis of 2,3-dihydropyran[2,3-c]pyrazoles

Microwave-assisted synthesis and biological evaluation of novel uracil derivatives inhibiting human thymidine phosphorylase

scientific article published in December 2004

Microwave-enhanced Sonogashira coupling reaction of substituted pyrimidinones and pyrimidine nucleosides

MmpL3 is the cellular target of the antitubercular pyrrole derivative BM212

scientific article

Modelling amphetamine/receptor interactions: a gas-phase study of complexes formed between amphetamine and Some chiral amido[4]resorcinarenes.

scientific article

Modulators of 14-3-3 Protein-Protein Interactions ⬇️

scientific article

Molecular basis for the binding of competitive inhibitors of maize polyamine oxidase.

scientific article published in March 2004

Molecular characterization of c-Abl/c-Src kinase inhibitors targeted against murine tumour progenitor cells that express stem cell markers

scientific article

Molecular dynamics and DFT study on HIV-1 nucleocapsid protein-7 in complex with viral genome.

scientific article

Molecular insights to the bioactive form of BV02, a reference inhibitor of 14-3-3σ protein-protein interactions

scientific article published on 21 December 2015

Molecular modeling approaches to study the binding mode on tubulin of microtubule destabilizing and stabilizing agents

scientific article published on January 2009

Molecular modeling as a powerful technique for understanding small-large molecules interactions.

scientific article

Mycobacterial carbonic anhydrase inhibition with phenolic acids and esters: kinetic and computational investigations

scientific article published on 17 August 2016

N-(thiazol-2-yl)-2-thiophene carboxamide derivatives as Abl inhibitors identified by a pharmacophore-based database screening of commercially available compounds

scientific article

N-[2-Methyl-5-(triazol-1-yl)phenyl]pyrimidin-2-amine as a scaffold for the synthesis of inhibitors of Bcr-Abl.

scientific article published on 30 August 2011

Natural Product Kuwanon-L Inhibits HIV-1 Replication through Multiple Target Binding.

scientific article published on 19 December 2016

Naturally occurring Diels-Alder-type adducts from Morus nigra as potent inhibitors of Mycobacterium tuberculosis protein tyrosine phosphatase B.

scientific article published on 7 December 2017

New 1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamides inhibit hepatitis C virus replication via suppression of cyclooxygenase-2.

scientific article

New SRC/ABL inhibitors for chronic myeloid leukemia therapy show selectivity for T315I ABL mutant CD34(+) cells.

scientific article

New pyrazolo-[3,4-d]-pyrimidine derivative Src kinase inhibitors lead to cell cycle arrest and tumor growth reduction of human medulloblastoma cells

scientific article

New pyrimido[5,4-b]indoles as ligands for alpha(1)-adrenoceptor subtypes.

scientific article

Next generation of antiretroviral agents targeting the RNA binding site of the HIV-1 cellular cofactor DDX3: an innovative therapeutic approach.

scientific article published on 25 May 2012

Novel 4-phenylpiperidine-2,6-dione derivatives. Ligands for α₁-adrenoceptor subtypes.

scientific article

Novel Macrocyclic Amidinoureas: Potent Non-Azole Antifungals Active against Wild-Type and Resistant Candida Species

scientific article

Novel Spirotetracyclic Zwitterionic Dual H1/5-HT2A Receptor Antagonists for the Treatment of Sleep Disorders ⬇️

scientific article published on November 11, 2010

Novel Sulfamide-Containing Compounds as Selective Carbonic Anhydrase I Inhibitors.

scientific article

Novel broad spectrum virucidal molecules against enveloped viruses

scientific article published in PLoS ONE

Novel dual Src/Abl inhibitors for hematologic and solid malignancies

scientific article

Novel ester and acid derivatives of the 1,5-diarylpyrrole scaffold as anti-inflammatory and analgesic agents. Synthesis and in vitro and in vivo biological evaluation

scientific article published in January 2010

Novel heparin/heparan sulfate mimics as inhibitors of HGF/SF-induced MET activation

scientific article published on 4 September 2007

Novel hypotensive agents from Verbesina caracasana: structure, synthesis and pharmacology

scientific article

Novel substituted aminoalkylguanidines as potential antihyperglycemic and food intake-reducing agents

scientific article published on 9 May 2008

Novel virtual screening protocol based on the combined use of molecular modeling and electron-ion interaction potential techniques to design HIV-1 integrase inhibitors

scientific article published on 03 July 2007

Nucleocapsid Protein: A Desirable Target for Future Therapies Against HIV-1.

scientific article

One-pot synthesis of spiro(indoline-3,4'-pyrazolo[3,4-b]pyridine)-5'-carbonitriles as p53-MDM2 interaction inhibitors

scientific article published on 10 December 2018

Paclitaxel and docetaxel resistance: molecular mechanisms and development of new generation taxanes

scientific article published on July 2007

Parallel solution-phase and microwave-assisted synthesis of new S-DABO derivatives endowed with subnanomolar anti-HIV-1 activity

scientific article published on December 2005

Parallel solution-phase synthesis of 4-dialkylamino-2-methylsulfonyl-6-vinylpyrimidines

scientific article published in January 2005

Pharmacophore based receptor modeling: the case of adenosine A3 receptor antagonists. An approach to the optimization of protein models.

scientific article published in July 2006

Pharmacophore modeling and molecular docking led to the discovery of inhibitors of human immunodeficiency virus-1 replication targeting the human cellular aspartic acid-glutamic acid-alanine-aspartic acid box polypeptide 3.

scientific article published on 4 October 2008

Pharmacophoric models and 3D QSAR studies of the adenosine receptor ligands

scientific article published on January 2010

Plasmin-Binding Tripeptide-Decorated Liposomes Loading Pyrazolo[3,4-d]pyrimidines for Targeting Hepatocellular Carcinoma

scientific article published on 07 May 2018

Possible binding site for paclitaxel at microtubule pores.

scientific article

Potent and Selective Carboxylic Acid Inhibitors of Tumor-Associated Carbonic Anhydrases IX and XII.

scientific article published on 22 December 2017

Practical one-pot two-step protocol for the microwave-assisted synthesis of highly functionalized rhodanine derivatives

scientific article published in January 2010

Predicting the binding mode of known NCp7 inhibitors to facilitate the design of novel modulators.

scientific article published on 20 December 2010

Predictive Gene Signature for Pyrazolopyrimidine Derivative c-Src Inhibitor 10a Sensitivity in Melanoma Cells

scientific article published on 18 February 2020

Probing the binding site of abl tyrosine kinase using in situ click chemistry.

scientific article

Probing the pore drug binding site of microtubules with fluorescent taxanes: evidence of two binding poses

scientific article published in March 2010

Probing the role of Arg97 in Heat shock protein 90 N-terminal domain from the parasite Leishmania braziliensis through site-directed mutagenesis on the human counterpart

scientific article published on 21 September 2018

Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model.

scientific article

Protein kinases: docking and homology modeling reliability.

scientific article

Protein-protein interactions and human cellular cofactors as new targets for HIV therapy

scientific article published on July 2014

Proteomics and phosphoproteomics provide insights into the mechanism of action of a novel pyrazolo[3,4-d]pyrimidine Src inhibitor in human osteosarcoma

scientific article published on 11 March 2014

Proton Therapy and Src Family Kinase Inhibitor Combined Treatments on U87 Human Glioblastoma Multiforme Cell Line

scientific article published on 24 September 2019

Pyrazolo-pyrimidine-derived c-Src inhibitor reduces angiogenesis and survival of squamous carcinoma cells by suppressing vascular endothelial growth factor production and signaling

scientific article published on 01 March 2007

Pyrazolo[3,4-d]pyrimidine Prodrugs: Strategic Optimization of the Aqueous Solubility of Dual Src/Abl Inhibitors

scientific article published on 20 May 2013

Pyrazolo[3,4-d]pyrimidines as potent antiproliferative and proapoptotic agents toward A431 and 8701-BC cells in culture via inhibition of c-Src phosphorylation.

scientific article published on March 2006

Pyrazolo[3,4-d]pyrimidines c-Src inhibitors reduce epidermal growth factor-induced migration in prostate cancer cells

scientific article published on 14 September 2006

Pyrazolo[3,4-d]pyrimidines endowed with antiproliferative activity on ductal infiltrating carcinoma cells.

scientific article published on March 2004

Pyrazolo[3,4-d]pyrimidines-loaded human serum albumin (HSA) nanoparticles: Preparation, characterization and cytotoxicity evaluation against neuroblastoma cell line.

scientific article

Raft component GD3 associates with tubulin following CD95/Fas ligation.

scientific article

Reactivity of lithium trimethylsilyldiazomethane and diazomethane toward the 5,6-double bond of uracil and uridine derivatives

Recent highlights in the synthesis of highly functionalized pyrimidines

scientific article published on 12 June 2009

Research on L-nucleosides. Synthesis and biological evaluation of a series of L- and D-2',3'-dideoxy-3'-[tris(methylthio)methyl]-beta-pentofuranosyl nucleosides.

scientific article published on February 2003

Researches on antiviral agents. 3. synthesis and transformations of racemic and chiral 6-oxiranyl pyrimidinones

Resolution of (+/-)-1-Aryl-2-propynylamines via Acyltransfer Catalyzed by Candida antarctica Lipase

scientific article published on 01 May 1999

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

scientific article

SRC Family Kinase Inhibition in Ewing Sarcoma Cells Induces p38 MAP Kinase-Mediated Cytotoxicity and Reduces Cell Migration.

scientific article published on 02 April 2016

SRC family kinase (SFK) inhibition reduces rhabdomyosarcoma cell growth in vitro and in vivo and triggers p38 MAP kinase-mediated differentiation

scientific article published in May 2015

SRC family kinase inhibition through a new pyrazolo[3,4-d]pyrimidine derivative as a feasible approach for glioblastoma treatment

scientific article published on May 2015

Simplified analogues of immucillin-G retain potent human purine nucleoside phosphorylase inhibitory activity.

scientific article published on October 2006

Small molecule inhibitors targeting HIV-1 reverse transcriptase dimerization

scientific article published in April 2008

Small molecules modulation of 14-3-3 protein-protein interactions.

scientific article published on December 2013

Small-molecule inhibitors of fibroblast growth factor receptor (FGFR) tyrosine kinases (TK).

scientific article

Solid-phase synthesis (SPS) of substituted uracils via Oxone® cleavage methodology

Stereocontrolled synthesis of 5-azaspiro[2.3]hexane derivatives as conformationally "frozen" analogues of L-glutamic acid

scientific article published on 14 May 2014

Stereoselective protecting group free synthesis of D,L-gulose ethyl glycoside via multicomponent enyne cross metathesis--hetero Diels-Alder reaction.

scientific article

Sterol 14α-Demethylase Structure-Based Design of VNI (( R)- N-(1-(2,4-Dichlorophenyl)-2-(1 H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide)) Derivatives To Target Fungal Infections: Synthesis, Biological Evaluation, and Crystallogr

scientific article published on 25 June 2018

Structure prediction and validation of the ERK8 kinase domain

scientific article published on 11 January 2013

Structure, function, involvement in diseases and targeting of 14-3-3 proteins: an update

scientific article

Structure-Activity Relationships on Cinnamoyl Derivatives as Inhibitors of p300 Histone Acetyltransferase.

scientific article published on 27 March 2017

Structure-Based Identification of HIV-1 Nucleocapsid Protein Inhibitors Active against Wild-Type and Drug-Resistant HIV-1 Strains.

scientific article published on 13 December 2017

Structure-activity relationship studies of a new series of imidazo[2,1-f]purinones as potent and selective A(3) adenosine receptor antagonists

scientific article

Structure-based optimization of pyrazolo[3,4-d]pyrimidines as Abl inhibitors and antiproliferative agents toward human leukemia cell lines.

scientific article published on 8 February 2008

Studies on the ATP Binding Site of Fyn Kinase for the Identification of New Inhibitors and Their Evaluation as Potential Agents against Tauopathies and Tumors

scientific article published on 29 April 2015

Substituted pyrazolo[3,4-b]pyridines as human A1 adenosine antagonists: developments in understanding the receptor stereoselectivity.

scientific article published on 9 March 2011

Substituted pyrazolo[3,4-b]pyridines as potent A1 adenosine antagonists: synthesis, biological evaluation, and development of an A1 bovine receptor model

scientific article

Suppression of SRC Signaling Is Effective in Reducing Synergy between Glioblastoma and Stromal Cells

scientific article published on 11 May 2016

Synthesis and 3D QSAR of new pyrazolo[3,4-b]pyridines: potent and selective inhibitors of A1 adenosine receptors

scientific article published in November 2005

Synthesis and Antiproliferative Activity of Nitric Oxide-Donor Largazole Prodrugs

scientific article published on 07 February 2020

Synthesis and Antiviral Activity of Novel 1,3,4-Thiadiazole Inhibitors of DDX3X

scientific article published on 04 November 2019

Synthesis and Evaluation of Bifunctional Aminothiazoles as Antiretrovirals Targeting the HIV-1 Nucleocapsid Protein

article

Synthesis and biological activity of new 1,4-benzodioxan-arylpiperazine derivatives. Further validation of a pharmacophore model for alpha(1)-adrenoceptor antagonists

scientific article published in February 2002

Synthesis and biological evaluation of 4-alkylamino-6-(2-hydroxyethyl)-2-methylthiopyrimidines as new rubella virus inhibitors.

scientific article

Synthesis and biological evaluation of a library of hybrid derivatives as inhibitors of influenza virus PA-PB1 interaction

scientific article published on 13 August 2018

Synthesis and biological evaluation of guanidino compounds endowed with subnanomolar affinity as competitive inhibitors of maize polyamine oxidase.

scientific article published in August 2009

Synthesis and biological evaluation of new enantiomerically pure azole derivatives as inhibitors of Mycobacterium tuberculosis.

scientific article

Synthesis and biological evaluation of new taxoids derived from 2-deacetoxytaxinine J.

scientific article

Synthesis and biological investigation of S-aryl-S-DABO derivatives as HIV-1 inhibitors

scientific article published on 18 April 2006

Synthesis and interaction with copper(II) cations of cyano- and aminoresorcin[4]arenes

scientific article published in February 2002

Synthesis and molecular modelling studies of resorcin[4]arene-capped porphyrins.

scientific article published in September 2003

Synthesis of 3-arylpiperazinylalkylpyrrolo[3,2-d]pyrimidine-2,4-dione derivatives as novel, potent, and selective alpha1-adrenoceptor ligands.

scientific article published in April 2005

Synthesis of C-Alkyl Calix[4]arenes. 3. Acid-Catalyzed Rearrangement of 2,6-Dimethoxycinnamate Prior to Tetramerization to Calix[4]arenes

scientific article published in June 1995

Synthesis of Enantiomerically Pure α-[4-(1-Substituted)-1,2,3-triazol-4-yl]-benzylacetamides via Microwave-Assisted Click Chemistry: Towards New Potential Antimicrobial Agents.

scientific article published in 2007

Synthesis of an Original Oxygenated Taxuspine X Analogue: a Versatile “Non-Natural” Natural Product with Remarkable P-gp Modulating Activity

scientific article published on 01 May 2008

Synthesis of distal and proximal fleximer base analogues and evaluation in the nucleocapsid protein of HIV-1

scientific article published on 15 May 2019

Synthesis of enantiomerically pure α-[4-(1-substituted)-1,2,3-triazol-4-yl]-benzylacetamides via microwave-assisted click chemistry: towards new potential antimicrobial agents

Synthesis of linear and cyclic guazatine derivatives endowed with antibacterial activity

scientific article published on 14 October 2014

Synthesis of new linear guanidines and macrocyclic amidinourea derivatives endowed with high antifungal activity against Candida spp. and Aspergillus spp.

scientific article published in December 2009

Synthesis of reactive cytidine derivatives as building blocks for cross-linking oligonucleotides

Synthesis ofC-Alkylcalix[4]arenes. 5. Design, Synthesis, Computational Studies, and Homodimerization of Polymethylene-Bridged Resorc[4]arenes

scientific article published in March 1997

Synthesis, Biological Activity, and ADME Properties of Novel S-DABOs/N-DABOs as HIV Reverse Transcriptase Inhibitors

article

Synthesis, biological evaluation and SAR study of novel pyrazole analogues as inhibitors of Mycobacterium tuberculosis.

scientific article published on 7 August 2008

Synthesis, biological evaluation and docking studies of 4-amino substituted 1H-pyrazolo[3,4-d]pyrimidines

scientific article

Synthesis, biological evaluation and molecular modeling of 1,2,3-triazole analogs of combretastatin A-1.

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Synthesis, biological evaluation and structure-activity correlation study of a series of imidazol-based compounds as Candida albicans inhibitors

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Synthesis, biological evaluation, and SAR study of novel pyrazole analogues as inhibitors of Mycobacterium tuberculosis: part 2. Synthesis of rigid pyrazolones.

scientific article

Synthesis, biological evaluation, and enzyme docking simulations of 1,5-diarylpyrrole-3-alkoxyethyl ethers as selective cyclooxygenase-2 inhibitors endowed with anti-inflammatory and antinociceptive activity

scientific article published on 4 July 2008

Synthesis, cannabinoid receptor affinity, and molecular modeling studies of substituted 1-aryl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamides

scientific article

Synthesis, in vitro, and in vivo biological evaluation and molecular docking simulations of chiral alcohol and ether derivatives of the 1,5-diarylpyrrole scaffold as novel anti-inflammatory and analgesic agents

scientific article published on 24 July 2008

Synthesis, modeling, and RET protein kinase inhibitory activity of 3- and 4-substituted beta-carbolin-1-ones

scientific article published on December 2008

Synthesis, molecular modeling studies, and pharmacological activity of selective A(1) receptor antagonists

scientific article published in October 2002

Synthetic SRC-kinase domain inhibitors and their structural requirements

scientific article published in November 2007

Targeting protein-protein and protein-nucleic acid interactions for anti-HIV therapy

scientific article

Targets looking for drugs: a multistep computational protocol for the development of structure-based pharmacophores and their applications for hit discovery.

scientific article

Tautomers of a Fluorescent G Surrogate and Their Distinct Photophysics Provide Additional Information Channels.

scientific article published on 08 June 2016

The anti-HIV activity of ADS-J1 targets the HIV-1 gp120.

scientific article published on 15 September 2005

The fight against the influenza A virus H1N1: synthesis, molecular modeling, and biological evaluation of benzofurazan derivatives as viral RNA polymerase inhibitors.

scientific article

Toward novel HIV-1 integrase binding inhibitors: molecular modeling, synthesis, and biological studies

scientific article published on 11 August 2007

Toward the discovery of novel anti-HIV drugs. Second-generation inhibitors of the cellular ATPase DDX3 with improved anti-HIV activity: synthesis, structure-activity relationship analysis, cytotoxicity studies, and target validation.

scientific article published on 22 June 2011

Towards novel S-DABOC inhibitors: synthesis, biological investigation, and molecular modeling studies

scientific article

Towards the discovery of new hypnotic agents: synthesis and preliminary pharmacological evaluation of a novel class of dibenzo[a,d]cycloheptene derivatives

scientific article published on November 2010

Unconventional plasticity of HIV-1 reverse transcriptase: how inhibitors could open a connection "gate" between allosteric and catalytic sites.

scientific article published on 25 November 2013

Use of virtual screening for discovering antiretroviral compounds interacting with the HIV-1 nucleocapsid protein.

scientific article published on 24 May 2012

Using insights into Pim1 structure to design new anticancer drugs

scientific article published on January 2010

alpha(1)-Adrenoceptor antagonists. Rational design, synthesis and biological evaluation of new trazodone-like compounds

scientific article published in February 2002

alpha1-Adrenoceptor antagonists. 5. Pyridazinone-arylpiperazines. Probing the influence on affinity and selectivity of both ortho-alkoxy groups at the arylpiperazine moiety and cyclic substituents at the pyridazinone nucleus

scientific article published in January 2003

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