Lista de obras - Fabrizio Manetti - Dominio Público Uruguay

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

artículo científico publicado en 2009

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

artículo científico publicado en 2005

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

artículo científico publicado en 2008

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

artículo científico publicado en 2009

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

artículo científico publicado en 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

artículo científico publicado en 2003

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

artículo científico publicado en 2003

4-Hydroxyphenylpyruvate Dioxygenase and Its Inhibition in Plants and Animals: Small Molecules as Herbicides and Agents for the Treatment of Human Inherited Diseases

artículo científico publicado en 2017

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

artículo científico publicado en 2009

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

artículo científico publicado en 2006

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

artículo científico publicado en 2010

Acylthiourea, acylurea, and acylguanidine derivatives with potent hedgehog inhibiting activity.

artículo científico publicado en 2012

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

artículo científico publicado en 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

artículo científico publicado en 2003

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

artículo científico publicado en 2002

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

artículo científico publicado en 2006

Antimycobacterial compounds. New pyrrole derivatives of BM212.

artículo científico publicado en 2004

Antimycobacterial compounds. Optimization of the BM 212 structure, the lead compound for a new pyrrole derivative class

artículo científico publicado en 2005

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

artículo científico publicado en 2004

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

artículo científico publicado en 2008

Building a pharmacophore model for a novel class of antitubercular compounds.

artículo científico publicado en 2000

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

artículo científico publicado en 2009

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

artículo científico publicado en 2004

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

artículo científico publicado en 2011

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

artículo científico publicado en 2007

Design and Synthesis of 1-((1,5-Bis(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl)methyl)-4-methylpiperazine (BM212) and N-Adamantan-2-yl-N'-((E)-3,7-dimethylocta-2,6-dienyl)ethane-1,2-diamine (SQ109) Pyrrole Hybrid Derivatives: Discovery of Potent Antitu

artículo científico publicado en 2016

Design and realization of a tailor-made enzyme to modify the molecular recognition of 2-arylpropionic esters by Candida rugosa lipase

scientific article published on 01 November 2000

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

artículo científico publicado en 2010

Design, synthesis and biological characterization of a new class of osteogenic (1H)-quinolone derivatives.

artículo científico publicado en 2016

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

artículo científico publicado en 2004

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

artículo científico publicado en 2011

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.

artículo científico publicado en 2007

Diltiazem-like calcium entry blockers: a hypothesis of the receptor-binding site based on a comparative molecular field analysis model

artículo científico publicado en 1997

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

artículo científico publicado en 2007

Discovery of 1,4-Naphthoquinones as a New Class of Antiproliferative Agents Targeting GPR55

scientific article published on 15 February 2019

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

article

Discovery, molecular and pharmacological characterization of GSA-10, a novel small-molecule positive modulator of Smoothened.

artículo científico publicado en 2013

Enlarging the NSAIDs family: ether, ester and acid derivatives of the 1,5-diarylpyrrole scaffold as novel anti-inflammatory and analgesic agents.

artículo científico publicado en 2011

Evaluation of WO2014207069 A1: Multitarget Hedgehog pathway inhibitors and uses thereof.

artículo científico publicado en 2015

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

artículo científico publicado en 2010

HIV-1 proteins join the family of LIM kinase partners. New roads open up for HIV-1 treatment ⬇️

artículo científico publicado el 18 de agosto de 2011

HIV-reverse transcriptase inhibition: inclusion of ligand-induced fit by cross-docking studies

artículo científico publicado en 2005

Hedgehog associated to microparticles inhibits adipocyte differentiation via a non-canonical pathway.

artículo científico publicado en 2016

Hedgehog pathway inhibitors of the acylthiourea and acylguanidine class show antitumor activity on colon cancer in vitro and in vivo

artículo científico publicado en 2018

Homogentisate 1,2 dioxygenase is expressed in brain: implications in alkaptonuria.

artículo científico publicado en 2015

Hypothesis on Serenoa repens (Bartram) small extract inhibition of prostatic 5α-reductase through an in silico approach on 5β-reductase x-ray structure.

artículo científico publicado en 2016

Identification and Mechanism of Action of the Acylguanidine MRT-83, a Novel Potent Smoothened Antagonist ⬇️

artículo científico publicado el 21 de diciembre de 2010

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

artículo científico publicado en 2007

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

artículo científico publicado en 2010

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 ⬇️

artículo científico publicado el 8 de agosto de 2010

Importance of the thiomorpholine introduction in new pyrrole derivatives as antimycobacterial agents analogues of BM 212.

artículo científico publicado en 2003

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

artículo científico publicado en 2013

In Memory of Maurizio Botta: His Contribution to the Development of Computer-Aided Drug Design

scientific article published on 05 December 2019

In Vitro Antiviral Activity of New Oxazoline Derivatives as Potent Poliovirus Inhibitors

scientific article published on 18 December 2018

Indolyl-pyrrolone as a new scaffold for Pim1 inhibitors

artículo científico publicado en 2009

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

artículo científico publicado en 2007

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

artículo científico publicado en 2016

Last findings on dual inhibitors of abl and SRC tyrosine-kinases.

artículo científico publicado en 2007

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

artículo científico publicado en 2006

MmpL3 is the cellular target of the antitubercular pyrrole derivative BM212

artículo científico publicado en 2011

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

artículo científico publicado en 2004

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

artículo científico publicado en 2010

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

artículo científico

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

artículo científico publicado en 2002

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

artículo científico publicado en 2008

New pyrazolo[3,4-d]pyrimidines endowed with A431 antiproliferative activity and inhibitory properties of Src phosphorylation.

artículo científico publicado en 2004

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

artículo científico publicado en 2003

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

artículo científico publicado en 2011

Novel Acylguanidine Derivatives Targeting Smoothened Induce Antiproliferative and Pro-Apoptotic Effects in Chronic Myeloid Leukemia Cells

artículo científico publicado en 2016

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

artículo científico publicado en 2010

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

artículo científico publicado en 2007

Novel smoothened antagonists as anti-neoplastic agents for the treatment of osteosarcoma

artículo científico publicado en 2017

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

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

artículo científico publicado en 2005

Pharmacophore Assessment Through 3-D QSAR: Evaluation of the Predictive Ability on New Derivatives by the Application on a Series of Antitubercular Agents

artículo científico publicado en 2013

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.

artículo científico publicado en 2008

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

artículo científico publicado en 2010

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

artículo científico publicado en 2010

Probing the substrate specificity for lipases. A CoMFA approach for predicting the hydrolysis rates of 2-arylpropionic esters catalyzed by Candida rugosa lipase

artículo científico publicado en 1996

Probing the substrate specificity for lipases. II. Kinetic and modeling studies on the molecular recognition of 2-arylpropionic esters by Candida rugosa and Rhizomucor miehei lipases

scientific article published on 01 February 1997

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.

artículo científico publicado en 2006

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

artículo científico publicado en 2004

Quercetin/oleic acid-based G-protein-coupled receptor 40 ligands as new insulin secretion modulators.

artículo científico publicado en 2017

Recent advances in the rational design and development of LIM kinase inhibitors are not enough to enter clinical trials

artículo científico publicado en 2018

Research on anti-HIV-1 agents. Investigation on the CD4-Suradista binding mode through docking experiments

scientific article published on 01 May 2000

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

artículo científico publicado en 2006

Small molecule inhibitors targeting HIV-1 reverse transcriptase dimerization

artículo científico publicado en 2008

Smoothened-antagonists reverse homogentisic acid-induced alterations of Hedgehog signaling and primary cilium length in alkaptonuria

artículo científico publicado en 2016

Structure prediction and validation of the ERK8 kinase domain

artículo científico publicado en 2013

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

artículo científico publicado en 2008

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

artículo científico publicado en 2008

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

artículo científico publicado en 2005

Synthesis and SAR evaluation of novel thioridazine derivatives active against drug-resistant tuberculosis

artículo científico publicado en 2016

Synthesis and binding mode of heterocyclic analogues of suramin inhibiting the human basic fibroblast growth factor

artículo científico publicado en 1998

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

artículo científico publicado en 2002

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

artículo científico publicado en 2009

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

artículo científico publicado en 2009

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

artículo científico publicado en 2006

Synthesis and evaluation of new Hsp90 inhibitors based on a 1,4,5-trisubstituted 1,2,3-triazole scaffold.

artículo científico publicado en 2014

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

artículo científico publicado en 2002

Synthesis of 1-(2-chloro-2-phenylethyl)-6-methylthio-1H-pyrazolo[3,4-d]pyrimidines 4-amino substituted and their biological evaluation.

artículo científico publicado en 2004

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

artículo científico publicado en 2005

Synthesis of 5,6-dihydro-4H -benzo[d ]isoxazol-7-one and 5,6-dihydro-4H -isoxazolo[5,4-c ]pyridin-7-one Derivatives as Potential Hsp90 Inhibitors

artículo científico publicado en 2015

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

artículo científico publicado en 2009

Synthesis of new piperazine–pyridazinone derivatives and their binding affinity toward α1-, α2-adrenergic and 5-HT1A serotoninergic receptors

artículo científico publicado en 2005

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

artículo científico publicado en 2008

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

artículo científico publicado en 2008

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

artículo científico publicado en 2009

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

artículo científico publicado en 2008

Synthesis, biological evaluation, and pharmacophore generation of new pyridazinone derivatives with affinity toward alpha(1)- and alpha(2)-adrenoceptors

artículo científico publicado en 2001

Synthesis, biological evaluation, and pharmacophore generation of uracil, 4(3H)-pyrimidinone, and uridine derivatives as potent and selective inhibitors of parainfluenza 1 (Sendai) virus.

artículo científico publicado en 2001

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

artículo científico publicado en 2008

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

artículo científico publicado en 2002

Synthetic SRC-kinase domain inhibitors and their structural requirements

artículo científico publicado en 2007

Targeted inhibition of Hedgehog-GLI signaling by novel acylguanidine derivatives inhibits melanoma cell growth by inducing replication stress and mitotic catastrophe

artículo científico publicado en 2018

Targeting Mitogen-Activated Protein Kinase-Activated Protein Kinase 2 (MAPKAPK2, MK2): Medicinal Chemistry Efforts To Lead Small Molecule Inhibitors to Clinical Trials

artículo científico publicado en 2015

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

artículo científico publicado en 2011

Targeting the human DEAD-box polypeptide 3 (DDX3) RNA helicase as a novel strategy to inhibit viral replication

artículo científico publicado en 2011

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

artículo científico publicado en 2005

The vasodilator papaverine stimulates L-type Ca(2+) current in rat tail artery myocytes via a PKA-dependent mechanism

artículo científico publicado en 2015

Toward a generalized computational workflow for exploiting transient pockets as new targets for small molecule stabilizers: Application to the homogentisate 1,2-dioxygenase mutants at the base of rare disease Alkaptonuria

artículo científico publicado en 2017

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.

artículo científico publicado en 2011

Virtual screening-based discovery and mechanistic characterization of the acylthiourea MRT-10 family as smoothened antagonists.

artículo científico publicado en 2010

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

artículo científico publicado en 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

artículo científico publicado en 2003

Lista de obras de Fabrizio Manetti

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

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

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

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

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

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

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

4-Hydroxyphenylpyruvate Dioxygenase and Its Inhibition in Plants and Animals: Small Molecules as Herbicides and Agents for the Treatment of Human Inherited Diseases

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

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

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

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

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

Acylthiourea, acylurea, and acylguanidine derivatives with potent hedgehog inhibiting activity.

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

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

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

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

Antimycobacterial compounds. New pyrrole derivatives of BM212.

Antimycobacterial compounds. Optimization of the BM 212 structure, the lead compound for a new pyrrole derivative class

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

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

Building a pharmacophore model for a novel class of antitubercular compounds.

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

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

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

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

Design and Synthesis of 1-((1,5-Bis(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl)methyl)-4-methylpiperazine (BM212) and N-Adamantan-2-yl-N'-((E)-3,7-dimethylocta-2,6-dienyl)ethane-1,2-diamine (SQ109) Pyrrole Hybrid Derivatives: Discovery of Potent Antitu

Design and realization of a tailor-made enzyme to modify the molecular recognition of 2-arylpropionic esters by Candida rugosa lipase

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

Design, synthesis and biological characterization of a new class of osteogenic (1H)-quinolone derivatives.

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

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

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.

Diltiazem-like calcium entry blockers: a hypothesis of the receptor-binding site based on a comparative molecular field analysis model

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

Discovery of 1,4-Naphthoquinones as a New Class of Antiproliferative Agents Targeting GPR55

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

Discovery, molecular and pharmacological characterization of GSA-10, a novel small-molecule positive modulator of Smoothened.

Enlarging the NSAIDs family: ether, ester and acid derivatives of the 1,5-diarylpyrrole scaffold as novel anti-inflammatory and analgesic agents.

Evaluation of WO2014207069 A1: Multitarget Hedgehog pathway inhibitors and uses thereof.

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

HIV-1 proteins join the family of LIM kinase partners. New roads open up for HIV-1 treatment ⬇️

HIV-reverse transcriptase inhibition: inclusion of ligand-induced fit by cross-docking studies

Hedgehog associated to microparticles inhibits adipocyte differentiation via a non-canonical pathway.

Hedgehog pathway inhibitors of the acylthiourea and acylguanidine class show antitumor activity on colon cancer in vitro and in vivo

Homogentisate 1,2 dioxygenase is expressed in brain: implications in alkaptonuria.

Hypothesis on Serenoa repens (Bartram) small extract inhibition of prostatic 5α-reductase through an in silico approach on 5β-reductase x-ray structure.

Identification and Mechanism of Action of the Acylguanidine MRT-83, a Novel Potent Smoothened Antagonist ⬇️

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

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

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 ⬇️

Importance of the thiomorpholine introduction in new pyrrole derivatives as antimycobacterial agents analogues of BM 212.

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

In Memory of Maurizio Botta: His Contribution to the Development of Computer-Aided Drug Design

In Vitro Antiviral Activity of New Oxazoline Derivatives as Potent Poliovirus Inhibitors

Indolyl-pyrrolone as a new scaffold for Pim1 inhibitors

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

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

Last findings on dual inhibitors of abl and SRC tyrosine-kinases.

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

MmpL3 is the cellular target of the antitubercular pyrrole derivative BM212

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

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

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

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

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

New pyrazolo[3,4-d]pyrimidines endowed with A431 antiproliferative activity and inhibitory properties of Src phosphorylation.

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

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

Novel Acylguanidine Derivatives Targeting Smoothened Induce Antiproliferative and Pro-Apoptotic Effects in Chronic Myeloid Leukemia Cells

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

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

Novel smoothened antagonists as anti-neoplastic agents for the treatment of osteosarcoma

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

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

Pharmacophore Assessment Through 3-D QSAR: Evaluation of the Predictive Ability on New Derivatives by the Application on a Series of Antitubercular Agents

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.

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