Lista de obras - Alessandro Marrone - Dominio Público Uruguay

A multilevel theoretical study to disclose the binding mechanisms of gold(III) bipyridyl compounds as selective aquaglyceroporin inhibitors.

artículo científico publicado en 2017

Activation of carboplatin by carbonate: a theoretical investigation

artículo científico publicado en 2012

Activity of matrix metallo proteinases (MMPs) and the tissue inhibitor of MMP (TIMP)-1 in electromagnetic field-exposed THP-1 cells.

artículo científico publicado en 2012

An Insight on the Gold(I) Affinity of golB Protein via Multilevel Computational Approaches

artículo científico publicado en 2019

An insight of early PrP-E200K aggregation by combined molecular dynamics/fragment molecular orbital approaches

article

Aquaporin inhibition by gold(III) compounds: new insights

artículo científico publicado en 2013

Aquation of the ruthenium-based anticancer drug NAMI-A: a density functional study.

artículo científico publicado en 2008

Binding of GSH conjugates to π-GST: a cross-docking approach

artículo científico publicado en 2011

Binding of antitumor ruthenium complexes to DNA and proteins: a theoretical approach.

artículo científico publicado en 2007

Calcium binding promotes prion protein fragment 90-231 conformational change toward a membrane destabilizing and cytotoxic structure.

artículo científico publicado en 2012

Condensation of beta-diester titanium enolates with carbonyl substrates: a combined DFT and experimental investigation

artículo científico publicado en 2009

Determinants of the Lead(II) Affinity in pbrR Protein: A Computational Study

artículo científico publicado en 2019

Double addition of phenylacetylene onto the mixed bridge phosphinito-phosphanido Pt(i) complex [(PHCy2)Pt(μ-PCy2){κ2P,O-μ-P(O)Cy2}Pt(PHCy2)](Pt-Pt)

scientific article published on 06 May 2020

Emerging protein targets for anticancer metallodrugs: inhibition of thioredoxin reductase and cathepsin B by antitumor ruthenium(II)-arene compounds

artículo científico publicado en 2008

Estimation of the PPARα agonism of fibrates by a combined MM-docking approach

scientific article published on 01 January 2013

Facile activation of dihydrogen by a phosphinito-bridged Pt(I)-Pt(I) complex

scientific article published on 01 April 2010

Insight into the Substitution Mechanism of Antitumor Au(I) N-Heterocyclic Carbene Complexes by Cysteine and Selenocysteine

artículo científico publicado en 2020

Investigation of the HPLC response of NSAIDs by fractional experimental design and multivariate regression analysis. Response optimization and new retention parameters

artículo científico publicado en 2009

Investigation of the molecular similarity in closely related protein systems: The PrP case study.

artículo científico publicado en 2015

Metal complexes containing allenylidene and higher cumulenylidene ligands: a theoretical perspective

artículo científico publicado el 7 de septiembre de 2011

Nonradical mechanisms for the uncatalyzed thermal functionalization of silicon surfaces by alkenes and alkynes: a density functional study

artículo científico publicado en 2006

Photo-isomerisation of alkenyl complexes of platinum(II): structural, spectroscopic, kinetic and computational investigations.

artículo científico publicado en 2013

Prediction of the PPARα agonism of fibrates by combined MM–docking approaches ⬇️

artículo científico publicado el 24 de febrero de 2011

Reactivity of N-Heterocyclic Carbene Half-Sandwich Ru-, Os-, Rh-, and Ir-Based Complexes with Cysteine and Selenocysteine: A Computational Study

artículo científico

Seeking for Non-Zinc-Binding MMP-2 Inhibitors: Synthesis, Biological Evaluation and Molecular Modelling Studies.

artículo científico publicado en 2016

Targeting aquaporin function: potent inhibition of aquaglyceroporin-3 by a gold-based compound

artículo científico publicado en 2012

The Effects of Ca2+ Concentration and E200K Mutation on the Aggregation Propensity of PrPC: A Computational Study

artículo científico publicado en 2016

The Role of APOSTART in Switching between Sexuality and Apomixis in Poa pratensis

scientific article published on 14 August 2020

Lista de obras de Alessandro Marrone

A multilevel theoretical study to disclose the binding mechanisms of gold(III) bipyridyl compounds as selective aquaglyceroporin inhibitors.

Activation of carboplatin by carbonate: a theoretical investigation

Activity of matrix metallo proteinases (MMPs) and the tissue inhibitor of MMP (TIMP)-1 in electromagnetic field-exposed THP-1 cells.

An Insight on the Gold(I) Affinity of golB Protein via Multilevel Computational Approaches

An insight of early PrP-E200K aggregation by combined molecular dynamics/fragment molecular orbital approaches

Aquaporin inhibition by gold(III) compounds: new insights

Aquation of the ruthenium-based anticancer drug NAMI-A: a density functional study.

Binding of GSH conjugates to π-GST: a cross-docking approach

Binding of antitumor ruthenium complexes to DNA and proteins: a theoretical approach.

Calcium binding promotes prion protein fragment 90-231 conformational change toward a membrane destabilizing and cytotoxic structure.

Condensation of beta-diester titanium enolates with carbonyl substrates: a combined DFT and experimental investigation

Determinants of the Lead(II) Affinity in pbrR Protein: A Computational Study

Double addition of phenylacetylene onto the mixed bridge phosphinito-phosphanido Pt(i) complex [(PHCy2)Pt(μ-PCy2){κ2P,O-μ-P(O)Cy2}Pt(PHCy2)](Pt-Pt)

Emerging protein targets for anticancer metallodrugs: inhibition of thioredoxin reductase and cathepsin B by antitumor ruthenium(II)-arene compounds

Estimation of the PPARα agonism of fibrates by a combined MM-docking approach

Facile activation of dihydrogen by a phosphinito-bridged Pt(I)-Pt(I) complex

Insight into the Substitution Mechanism of Antitumor Au(I) N-Heterocyclic Carbene Complexes by Cysteine and Selenocysteine

Investigation of the HPLC response of NSAIDs by fractional experimental design and multivariate regression analysis. Response optimization and new retention parameters

Investigation of the molecular similarity in closely related protein systems: The PrP case study.

Metal complexes containing allenylidene and higher cumulenylidene ligands: a theoretical perspective

Nonradical mechanisms for the uncatalyzed thermal functionalization of silicon surfaces by alkenes and alkynes: a density functional study

Photo-isomerisation of alkenyl complexes of platinum(II): structural, spectroscopic, kinetic and computational investigations.

Prediction of the PPARα agonism of fibrates by combined MM–docking approaches ⬇️

Reactivity of N-Heterocyclic Carbene Half-Sandwich Ru-, Os-, Rh-, and Ir-Based Complexes with Cysteine and Selenocysteine: A Computational Study

Seeking for Non-Zinc-Binding MMP-2 Inhibitors: Synthesis, Biological Evaluation and Molecular Modelling Studies.

Targeting aquaporin function: potent inhibition of aquaglyceroporin-3 by a gold-based compound

The Effects of Ca2+ Concentration and E200K Mutation on the Aggregation Propensity of PrPC: A Computational Study

The Role of APOSTART in Switching between Sexuality and Apomixis in Poa pratensis