Lista de obras - Anna Maria Almerico - Dominio Público Uruguay

1-Methyl-3H-pyrazolo[1,2-a]benzo[1,2,3,4]tetrazin-3-ones. Design, synthesis, and biological activity of new antitumor agents.

artículo científico publicado en 2005

2-Diazoindoles: building blocks for the synthesis of antineoplastic agents

artículo científico publicado en 2002

3D-QSAR pharmacophore modeling and in silico screening of new Bcl-xl inhibitors.

artículo científico publicado en 2010

A Molecular Dynamics-Shared Pharmacophore Approach to Boost Early-Enrichment Virtual Screening: A Case Study on Peroxisome Proliferator-Activated Receptor α.

artículo científico publicado en 2017

A human CCT5 gene mutation causing distal neuropathy impairs hexadecamer assembly in an archaeal model

artículo científico publicado en 2014

A multivariate analysis of HIV-1 protease inhibitors and resistance induced by mutation

artículo científico publicado en 2006

A3 adenosine receptor: homology modeling and 3D-QSAR studies

artículo científico publicado en 2013

An unexpected Dimroth rearrangement leading to annelated thieno[3,2-d][1,2,3]triazolo[1,5-a]pyrimidines with potent antitumor activity.

artículo científico publicado en 2013

Annelated pyrrolo-pyrimidines from amino-cyanopyrroles and BMMAs as leads for new DNA-interactive ring systems.

artículo científico publicado en 2005

Common Hits Approach: Combining Pharmacophore Modeling and Molecular Dynamics Simulations.

artículo científico publicado en 2017

Conf-VLKA: A structure-based revisitation of the Virtual Lock-and-key Approach

artículo científico publicado en 2016

DNA minor groove binders: an overview on molecular modeling and QSAR approaches.

artículo científico publicado en 2007

Derivatives of the new ring system indolo[1,2-c]benzo[1,2,3]triazine with potent antitumor and antimicrobial activity

artículo científico publicado en 1999

Design, synthesis and preliminary evaluation of dopamine-amino acid conjugates as potential D1 dopaminergic modulators

artículo científico publicado en 2016

Docking and multivariate methods to explore HIV-1 drug-resistance: a comparative analysis

artículo científico publicado en 2008

Does ligand symmetry play a role in the stabilization of DNA G-quadruplex host-guest complexes?

artículo científico publicado en 2014

Exploring the anticancer potential of pyrazolo[1,2-a]benzo[1,2,3,4]tetrazin-3-one derivatives: the effect on apoptosis induction, cell cycle and proliferation.

artículo científico publicado en 2013

From ascorbigens to indolocarbazoles

article published in 1999

G-quadruplex vs. duplex-DNA binding of nickel(II) and zinc(II) Schiff base complexes.

artículo científico publicado en 2016

Glycosidopyrroles Part 1. Acyclic derivatives: 1-(2-hydroxyethoxy) methylpyrroles as potential anti-viral agents ⬇️

artículo científico publicado el 1 de enero de 1998

Hsp60, a novel target for antitumor therapy: structure-function features and prospective drugs design

artículo científico

In vitro and in silico studies of polycondensed diazine systems as anti-parasitic agents.

artículo científico publicado en 2011

In-silico screening of new potential Bcl-2/Bcl-xl inhibitors as apoptosis modulators

scientific article published on 06 December 2008

Indicaxanthin from Opuntia ficus-indica Crosses the Blood-Brain Barrier and Modulates Neuronal Bioelectric Activity in Rat Hippocampus at Dietary-Consistent Amounts

artículo científico publicado en 2015

Indolo[3,2-c]cinnolines with antiproliferative, antifungal, and antibacterial activity

artículo científico publicado en 1999

Inside the Hsp90 inhibitors binding mode through induced fit docking.

artículo científico publicado en 2008

Intercalation of daunomycin into stacked DNA base pairs. DFT study of an anticancer drug

scientific article published on 01 August 2008

Isoindolo[2,1-c]benzo[1,2,4]triazines: a new ring system with antiproliferative activity.

artículo científico publicado en 2006

Lead optimization through VLAK protocol: new annelated pyrrolo-pyrimidine derivatives as antitumor agents.

artículo científico publicado en 2012

Leptin and the OB-receptor as anti-obesity target: recent in silico advances in the comprehension of the protein-protein interaction and rational drug design of anti- obesity lead compounds.

artículo científico publicado en 2014

Micelles of the chiral biocompatible surfactant (1R,2S)-dodecyl(2-hydroxy-1-methyl-2-phenylethyl)dimethylammonium bromide (DMEB): molecular dynamics and fragmentation patterns in the gas phase.

artículo científico publicado en 2017

Micelles, Rods, Liposomes, and Other Supramolecular Surfactant Aggregates: Computational Approaches

artículo científico publicado en 2017

Molecular docking approach on the Topoisomerase I inhibitors series included in the NCI anti-cancer agents mechanism database

artículo científico publicado en 2006

Molecular dynamics studies on HIV-1 protease: a comparison of the flap motions between wild type protease and the M46I/G51D double mutant

scientific article published on 06 September 2007

Molecular dynamics studies on Mdm2 complexes: an analysis of the inhibitor influence

artículo científico publicado en 2012

Molecular dynamics, dynamic site mapping, and highthroughput virtual screening on leptin and the Ob receptor as anti-obesity target.

artículo científico

Molecular modeling approaches in the discovery of new drugs for anti-cancer therapy: the investigation of p53-MDM2 interaction and its inhibition by small molecules.

scientific article published on January 2010

Multivariate analysis in the identification of biological targets for designed molecular structures: the BIOTA protocol

artículo científico publicado en 2014

New annelated thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidines, with potent anticancer activity, designed through VLAK protocol.

artículo científico publicado en 2013

New benzothieno[3,2-d]-1,2,3-triazines with antiproliferative activity: synthesis, spectroscopic studies, and biological activity.

artículo científico publicado en 2014

Nickel(II), copper(II) and zinc(II) metallo-intercalators: structural details of the DNA-binding by a combined experimental and computational investigation

scientific article published on 01 April 2014

Polycondensed Nitrogen Heterocycles. Part 26. Aminopyrrolo[1,2-f]phenanthridines by Decomposition and Cyclization of 2-Aryl-1-(3-azidophenyl)pyrroles

Principal component analysis on molecular descriptors as an alternative point of view in the search of new Hsp90 inhibitors

artículo científico publicado en 2009

Pyrrolo[2,1-d][1,2,3,5]tetrazine-4(3H)-ones, a new class of azolotetrazines with potent antitumor activity.

artículo científico publicado en 2003

Pyrrolo[2,1-d][1,2,3,5]tetrazinones deaza analogues of temozolomide with potent antitumor activity

scientific article published on 01 March 2000

Recent advances on CDK inhibitors: An insight by means of in silico methods.

artículo científico

Receptor-guided 3D-QSAR approach for the discovery of c-kit tyrosine kinase inhibitors ⬇️

artículo científico publicado el 30 de noviembre de 2011

Studies on a new potential dopaminergic agent: in vitro BBB permeability, in vivo behavioural effects and molecular docking evaluation.

artículo científico publicado en 2015

Synthesis and antiproliferative activity of [1,2,3,5]tetrazino[5,4-a]indoles, a new class of azolo-tetrazinones.

artículo científico publicado en 2005

Synthesis and biological activities of a new class of heat shock protein 90 inhibitors, designed by energy-based pharmacophore virtual screening.

artículo científico publicado en 2013

Synthesis, antiproliferative activity, and in silico insights of new 3-benzoylamino-benzo[b]thiophene derivatives

artículo científico publicado en 2014

The interaction of Schiff Base complexes of nickel(II) and zinc(II) with duplex and G-quadruplex DNA.

artículo científico publicado en 2017

Theoretical Determination of the pK a Values of Betalamic Acid Related to the Free Radical Scavenger Capacity: Comparison Between Empirical and Quantum Chemical Methods.

artículo científico publicado en 2015

Virtual lock-and-key approach: The in silico revival of Fischer model by means of molecular descriptors ⬇️

artículo científico publicado el 1 de julio de 2011

Zinc complexes as fluorescent chemosensors for nucleic acids: new perspectives for a "boring" element

artículo científico publicado en 2015

Lista de obras de Anna Maria Almerico

1-Methyl-3H-pyrazolo[1,2-a]benzo[1,2,3,4]tetrazin-3-ones. Design, synthesis, and biological activity of new antitumor agents.

2-Diazoindoles: building blocks for the synthesis of antineoplastic agents

3D-QSAR pharmacophore modeling and in silico screening of new Bcl-xl inhibitors.

A Molecular Dynamics-Shared Pharmacophore Approach to Boost Early-Enrichment Virtual Screening: A Case Study on Peroxisome Proliferator-Activated Receptor α.

A human CCT5 gene mutation causing distal neuropathy impairs hexadecamer assembly in an archaeal model

A multivariate analysis of HIV-1 protease inhibitors and resistance induced by mutation

A3 adenosine receptor: homology modeling and 3D-QSAR studies

An unexpected Dimroth rearrangement leading to annelated thieno[3,2-d][1,2,3]triazolo[1,5-a]pyrimidines with potent antitumor activity.

Annelated pyrrolo-pyrimidines from amino-cyanopyrroles and BMMAs as leads for new DNA-interactive ring systems.

Common Hits Approach: Combining Pharmacophore Modeling and Molecular Dynamics Simulations.

Conf-VLKA: A structure-based revisitation of the Virtual Lock-and-key Approach

DNA minor groove binders: an overview on molecular modeling and QSAR approaches.

Derivatives of the new ring system indolo[1,2-c]benzo[1,2,3]triazine with potent antitumor and antimicrobial activity

Design, synthesis and preliminary evaluation of dopamine-amino acid conjugates as potential D1 dopaminergic modulators

Docking and multivariate methods to explore HIV-1 drug-resistance: a comparative analysis

Does ligand symmetry play a role in the stabilization of DNA G-quadruplex host-guest complexes?

Exploring the anticancer potential of pyrazolo[1,2-a]benzo[1,2,3,4]tetrazin-3-one derivatives: the effect on apoptosis induction, cell cycle and proliferation.

From ascorbigens to indolocarbazoles

G-quadruplex vs. duplex-DNA binding of nickel(II) and zinc(II) Schiff base complexes.

Glycosidopyrroles Part 1. Acyclic derivatives: 1-(2-hydroxyethoxy) methylpyrroles as potential anti-viral agents ⬇️

Hsp60, a novel target for antitumor therapy: structure-function features and prospective drugs design

In vitro and in silico studies of polycondensed diazine systems as anti-parasitic agents.

In-silico screening of new potential Bcl-2/Bcl-xl inhibitors as apoptosis modulators

Indicaxanthin from Opuntia ficus-indica Crosses the Blood-Brain Barrier and Modulates Neuronal Bioelectric Activity in Rat Hippocampus at Dietary-Consistent Amounts

Indolo[3,2-c]cinnolines with antiproliferative, antifungal, and antibacterial activity

Inside the Hsp90 inhibitors binding mode through induced fit docking.

Intercalation of daunomycin into stacked DNA base pairs. DFT study of an anticancer drug

Isoindolo[2,1-c]benzo[1,2,4]triazines: a new ring system with antiproliferative activity.

Lead optimization through VLAK protocol: new annelated pyrrolo-pyrimidine derivatives as antitumor agents.

Leptin and the OB-receptor as anti-obesity target: recent in silico advances in the comprehension of the protein-protein interaction and rational drug design of anti- obesity lead compounds.

Micelles of the chiral biocompatible surfactant (1R,2S)-dodecyl(2-hydroxy-1-methyl-2-phenylethyl)dimethylammonium bromide (DMEB): molecular dynamics and fragmentation patterns in the gas phase.

Micelles, Rods, Liposomes, and Other Supramolecular Surfactant Aggregates: Computational Approaches

Molecular docking approach on the Topoisomerase I inhibitors series included in the NCI anti-cancer agents mechanism database

Molecular dynamics studies on HIV-1 protease: a comparison of the flap motions between wild type protease and the M46I/G51D double mutant

Molecular dynamics studies on Mdm2 complexes: an analysis of the inhibitor influence

Molecular dynamics, dynamic site mapping, and highthroughput virtual screening on leptin and the Ob receptor as anti-obesity target.

Molecular modeling approaches in the discovery of new drugs for anti-cancer therapy: the investigation of p53-MDM2 interaction and its inhibition by small molecules.

Multivariate analysis in the identification of biological targets for designed molecular structures: the BIOTA protocol

New annelated thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidines, with potent anticancer activity, designed through VLAK protocol.

New benzothieno[3,2-d]-1,2,3-triazines with antiproliferative activity: synthesis, spectroscopic studies, and biological activity.

Nickel(II), copper(II) and zinc(II) metallo-intercalators: structural details of the DNA-binding by a combined experimental and computational investigation

Polycondensed Nitrogen Heterocycles. Part 26. Aminopyrrolo[1,2-f]phenanthridines by Decomposition and Cyclization of 2-Aryl-1-(3-azidophenyl)pyrroles

Principal component analysis on molecular descriptors as an alternative point of view in the search of new Hsp90 inhibitors

Pyrrolo[2,1-d][1,2,3,5]tetrazine-4(3H)-ones, a new class of azolotetrazines with potent antitumor activity.

Pyrrolo[2,1-d][1,2,3,5]tetrazinones deaza analogues of temozolomide with potent antitumor activity

Recent advances on CDK inhibitors: An insight by means of in silico methods.

Receptor-guided 3D-QSAR approach for the discovery of c-kit tyrosine kinase inhibitors ⬇️

Studies on a new potential dopaminergic agent: in vitro BBB permeability, in vivo behavioural effects and molecular docking evaluation.

Synthesis and antiproliferative activity of [1,2,3,5]tetrazino[5,4-a]indoles, a new class of azolo-tetrazinones.

Synthesis and biological activities of a new class of heat shock protein 90 inhibitors, designed by energy-based pharmacophore virtual screening.

Synthesis, antiproliferative activity, and in silico insights of new 3-benzoylamino-benzo[b]thiophene derivatives

The interaction of Schiff Base complexes of nickel(II) and zinc(II) with duplex and G-quadruplex DNA.

Theoretical Determination of the pK a Values of Betalamic Acid Related to the Free Radical Scavenger Capacity: Comparison Between Empirical and Quantum Chemical Methods.

Virtual lock-and-key approach: The in silico revival of Fischer model by means of molecular descriptors ⬇️

Zinc complexes as fluorescent chemosensors for nucleic acids: new perspectives for a "boring" element