Lista de obras - Carolina Horta Andrade - Dominio Público Uruguay

3D-Pharmacophore mapping of thymidine-based inhibitors of TMPK as potential antituberculosis agents

artículo científico publicado en 2010

3D-QSAR approaches in drug design: perspectives to generate reliable CoMFA models

artículo científico

4D-QSAR: perspectives in drug design.

artículo científico publicado en 2010

A Perspective and a New Integrated Computational Strategy for Skin Sensitization Assessment

A diarylamine derived from anthranilic acid inhibits ZIKV replication.

artículo científico publicado en 2019

Abordagem racional no planejamento de novos tuberculostáticos: inibidores da InhA, enoil-ACP redutase do M. tuberculosis

scholarly article by Carolina Horta Andrade et al published June 2008 in BJPS: Brazilian Journal of Pharmaceutical Sciences

Advances in methods for predicting phase I metabolism of polyphenols

artículo científico

Analogues of Marine Guanidine Alkaloids Are in Vitro Effective against Trypanosoma cruzi and Selectively Eliminate Leishmania (L.) infantum Intracellular Amastigotes

artículo científico publicado en 2016

Anti-inflammatory and antinociceptive activities of LQFM002 - A 4-nerolidylcatechol derivative

artículo científico publicado en 2013

Anti-inflammatory effect of (E)-4-(3,7-dimethylocta-2,6-dienylamino)phenol, a new derivative of 4-nerolidylcatechol

artículo científico publicado en 2012

Antitrypanosomal Activity of Acetogenins Isolated from the Seeds of Porcelia macrocarpa Is Associated with Alterations in Both Plasma Membrane Electric Potential and Mitochondrial Membrane Potential

scientific article published on 02 May 2019

Antitrypanosomal activity and evaluation of the mechanism of action of dehydrodieugenol isolated from Nectandra leucantha (Lauraceae) and its methylated derivative against Trypanosoma cruzi.

artículo científico publicado en 2016

Artificial intelligence-guided Approach for Efficient Virtual Screening of Hits Against <i>Schistosoma Mansoni</i>

artículo científico publicado en 2023

Assessing the performance of 3D pharmacophore models in virtual screening: how good are they?

artículo científico

Biotransformation of LASSBio-579 and pharmacological evaluation of p -hydroxylated metabolite a N -phenylpiperazine antipsychotic lead compound

artículo científico publicado en 2012

Butenolides from Nectandra oppositifolia (Lauraceae) displayed anti-Trypanosoma cruzi activity via deregulation of mitochondria

scientific article published on 09 October 2018

Chalcone Derivatives: Promising Starting Points for Drug Design.

artículo científico publicado en 2017

Chalcones as a basis for computer-aided drug design: innovative approaches to tackle malaria

scientific article published on 26 September 2019

Cheminformatics-driven discovery of polymeric micelle formulations for poorly soluble drugs.

artículo científico publicado en 2019

Chemistry-Wide Association Studies (CWAS): A Novel Framework for Identifying and Interpreting Structure-Activity Relationships

Combination of docking, molecular dynamics and quantum mechanical calculations for metabolism prediction of 3,4-methylenedioxybenzoyl-2-thienylhydrazone

article

Computationally-guided drug repurposing enables the discovery of kinase targets and inhibitors as new schistosomicidal agents

artículo científico publicado en 2018

Computer-aided discovery of two novel chalcone-like compounds active and selective against Leishmania infantum

artículo científico publicado en 2017

Computer-aided identification of novel anti-paracoccidioidomycosis compounds

artículo científico publicado en 2018

Cyclic voltammetry and computational chemistry studies on the evaluation of the redox behavior of parabens and other analogues

Dealing with frequent hitters in drug discovery: a multidisciplinary view on the issue of filtering compounds on biological screenings

scientific article published on 16 August 2019

Deep Learning-driven research for drug discovery: Tackling Malaria

scientific article published on 18 February 2020

Design of new dopamine D2 receptor ligands: biosynthesis and pharmacological evaluation of the hydroxylated metabolite of LASSBio-581.

artículo científico publicado en 2010

Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.

artículo científico publicado en 2017

Development of Web and Mobile Applications for Chemical Toxicity Prediction

article

Discovery of New Zika Protease and Polymerase Inhibitors through the Open Science Collaboration Project OpenZika

artículo científico publicado en 2022

Discovery of new potent hits against intracellular Trypanosoma cruzi by QSAR-based virtual screening

artículo científico publicado en 2018

Discovery of new potential hits of Plasmodium falciparum enoyl-ACP reductase through ligand- and structure-based drug design approaches

artículo científico publicado en 2013

Drug Repurposing for Paracoccidioidomycosis Through a Computational Chemogenomics Framework.

artículo científico publicado en 2019

Dynamic behavior of Dengue and Zika viruses NS1 protein reveals monomer-monomer interaction mechanisms and insights to rational drug design

scientific article published on 18 October 2019

Editorial (Thematic Issue: Drug Metabolism, Toxicology Experimental Determination and Theoretical Prediction: Challenges and Perspectives from a Medicinal Chemistry Point of View)

artículo científico publicado en 2014

Efficacy of sertraline against : an in vitro and in silico study

artículo científico publicado en 2018

Fragment-based and classical quantitative structure-activity relationships for a series of hydrazides as antituberculosis agents

artículo científico publicado en 2008

High Throughput and Computational Repurposing for Neglected Diseases

artículo científico publicado en 2018

Hydroxyazole scaffold-based Plasmodium falciparum dihydroorotate dehydrogenase inhibitors: Synthesis, biological evaluation and X-ray structural studies

artículo científico publicado en 2018

Illustrating and homology modeling the proteins of the Zika virus

artículo científico publicado en 2016

In Silico Chemogenomics Drug Repositioning Strategies for Neglected Tropical Diseases

artículo científico publicado en 2018

In silico prediction of drug metabolism by P450.

artículo científico publicado en 2014

In silico repositioning-chemogenomics strategy identifies new drugs with potential activity against multiple life stages of Schistosoma mansoni

artículo científico publicado en 2015

In vitro, in silico and in vivo analysis of novel aromatic amidines against Trypanosoma cruzi

artículo científico publicado en 2017

Modern approaches to accelerate discovery of new antischistosomal drugs.

artículo científico publicado en 2016

Molecular dynamics simulations of Zika virus NS3 helicase: Insights into RNA binding site activity

scientific article (publication date: March 2017)

Multi-Descriptor Read Across (MuDRA): A Simple and Transparent Approach for Developing Accurate Quantitative Structure–Activity Relationship Models

article

Natural Compounds as Non-Nucleoside Inhibitors of Zika Virus Polymerase through Integration of In Silico and In Vitro Approaches

scientific article published in 2022

Natural products as leads in schistosome drug discovery.

artículo científico publicado en 2015

Neolignans from leaves of Nectandra leucantha (Lauraceae) display in vitro antitrypanosomal activity via plasma membrane and mitochondrial damages.

artículo científico publicado en 2017

Open drug discovery for the Zika virus

artículo científico publicado en 2016

OpenZika: An IBM World Community Grid Project to Accelerate Zika Virus Drug Discovery

artículo científico publicado en 2016

Oy Vey! A Comment on "Machine Learning of Toxicological Big Data Enables Read-Across Structure Activity Relationships Outperforming Animal Test Reproducibility"

artículo científico publicado en 2019

Pred-Skin: A Fast and Reliable Web Application to Assess Skin Sensitization Effect of Chemicals.

artículo científico publicado en 2017

Pred-hERG: A Novel web-Accessible Computational Tool for Predicting Cardiac Toxicity

artículo científico publicado en 2015

QSAR-Based Virtual Screening: Advances and Applications in Drug Discovery

artículo científico publicado en 2018

QSAR-Driven Design and Discovery of Novel Compounds With Antiplasmodial and Transmission Blocking Activities.

artículo científico publicado en 2018

QUIMIOINFORMÁTICA: UMA INTRODUÇÃO

Rational design and 3D-pharmacophore mapping of 5'-thiourea-substituted alpha-thymidine analogues as mycobacterial TMPK inhibitors

artículo científico publicado en 2009

Selective Bias Virtual Screening for Discovery of Promising Antimalarial Candidates targeting Plasmodium N-Myristoyltransferase

Structural and chemical basis for enhanced affinity to a series of mycobacterial thymidine monophosphate kinase inhibitors: fragment-based QSAR and QM/MM docking studies

artículo científico publicado en 2012

Structure-based prediction and biosynthesis of the major mammalian metabolite of the cardioactive prototype LASSBio-294

artículo científico publicado en 2010

Synthesis and molecular modelling studies of pyrimidinones and pyrrolo[3,4-d]-pyrimidinodiones as new antiplasmodial compounds.

artículo científico publicado en 2018

Synthesis, Docking Studies, Pharmacological Activity and Toxicity of a Novel Pyrazole Derivative (LQFM 021)—Possible Effects on Phosphodiesterase ⬇️

artículo científico publicado el 1 de enero de 2013

The antidepressant drug paroxetine as a new lead candidate in schistosome drug discovery

article published in 2016

Three-Dimensional Quantitative Structure-Activity Relationships for a Large Series of Potent Antitubercular Agents

Tuning HERG out: antitarget QSAR models for drug development

artículo científico publicado en 2014

Unveiling the Antiviral Capabilities of Targeting Human Dihydroorotate Dehydrogenase against SARS-CoV-2

artículo científico publicado en 2024

Unveiling the Kinomes of and Empowers the Discovery of New Kinase Targets and Antileishmanial Compounds

scientific article published on 08 February 2019

Virtual screening strategies in medicinal chemistry: the state of the art and current challenges.

artículo científico

Lista de obras de Carolina Horta Andrade

3D-Pharmacophore mapping of thymidine-based inhibitors of TMPK as potential antituberculosis agents

3D-QSAR approaches in drug design: perspectives to generate reliable CoMFA models

4D-QSAR: perspectives in drug design.

A Perspective and a New Integrated Computational Strategy for Skin Sensitization Assessment

A diarylamine derived from anthranilic acid inhibits ZIKV replication.

Abordagem racional no planejamento de novos tuberculostáticos: inibidores da InhA, enoil-ACP redutase do M. tuberculosis

Advances in methods for predicting phase I metabolism of polyphenols

Analogues of Marine Guanidine Alkaloids Are in Vitro Effective against Trypanosoma cruzi and Selectively Eliminate Leishmania (L.) infantum Intracellular Amastigotes

Anti-inflammatory and antinociceptive activities of LQFM002 - A 4-nerolidylcatechol derivative

Anti-inflammatory effect of (E)-4-(3,7-dimethylocta-2,6-dienylamino)phenol, a new derivative of 4-nerolidylcatechol

Antitrypanosomal Activity of Acetogenins Isolated from the Seeds of Porcelia macrocarpa Is Associated with Alterations in Both Plasma Membrane Electric Potential and Mitochondrial Membrane Potential

Antitrypanosomal activity and evaluation of the mechanism of action of dehydrodieugenol isolated from Nectandra leucantha (Lauraceae) and its methylated derivative against Trypanosoma cruzi.

Artificial intelligence-guided Approach for Efficient Virtual Screening of Hits Against <i>Schistosoma Mansoni</i>

Assessing the performance of 3D pharmacophore models in virtual screening: how good are they?

Biotransformation of LASSBio-579 and pharmacological evaluation of p -hydroxylated metabolite a N -phenylpiperazine antipsychotic lead compound

Butenolides from Nectandra oppositifolia (Lauraceae) displayed anti-Trypanosoma cruzi activity via deregulation of mitochondria

Chalcone Derivatives: Promising Starting Points for Drug Design.

Chalcones as a basis for computer-aided drug design: innovative approaches to tackle malaria

Cheminformatics-driven discovery of polymeric micelle formulations for poorly soluble drugs.

Chemistry-Wide Association Studies (CWAS): A Novel Framework for Identifying and Interpreting Structure-Activity Relationships

Combination of docking, molecular dynamics and quantum mechanical calculations for metabolism prediction of 3,4-methylenedioxybenzoyl-2-thienylhydrazone

Computationally-guided drug repurposing enables the discovery of kinase targets and inhibitors as new schistosomicidal agents

Computer-aided discovery of two novel chalcone-like compounds active and selective against Leishmania infantum

Computer-aided identification of novel anti-paracoccidioidomycosis compounds

Cyclic voltammetry and computational chemistry studies on the evaluation of the redox behavior of parabens and other analogues

Dealing with frequent hitters in drug discovery: a multidisciplinary view on the issue of filtering compounds on biological screenings

Deep Learning-driven research for drug discovery: Tackling Malaria

Design of new dopamine D2 receptor ligands: biosynthesis and pharmacological evaluation of the hydroxylated metabolite of LASSBio-581.

Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.

Development of Web and Mobile Applications for Chemical Toxicity Prediction

Discovery of New Zika Protease and Polymerase Inhibitors through the Open Science Collaboration Project OpenZika

Discovery of new potent hits against intracellular Trypanosoma cruzi by QSAR-based virtual screening

Discovery of new potential hits of Plasmodium falciparum enoyl-ACP reductase through ligand- and structure-based drug design approaches

Drug Repurposing for Paracoccidioidomycosis Through a Computational Chemogenomics Framework.

Dynamic behavior of Dengue and Zika viruses NS1 protein reveals monomer-monomer interaction mechanisms and insights to rational drug design

Editorial (Thematic Issue: Drug Metabolism, Toxicology Experimental Determination and Theoretical Prediction: Challenges and Perspectives from a Medicinal Chemistry Point of View)

Efficacy of sertraline against : an in vitro and in silico study

Fragment-based and classical quantitative structure-activity relationships for a series of hydrazides as antituberculosis agents

High Throughput and Computational Repurposing for Neglected Diseases

Hydroxyazole scaffold-based Plasmodium falciparum dihydroorotate dehydrogenase inhibitors: Synthesis, biological evaluation and X-ray structural studies

Illustrating and homology modeling the proteins of the Zika virus

In Silico Chemogenomics Drug Repositioning Strategies for Neglected Tropical Diseases

In silico prediction of drug metabolism by P450.

In silico repositioning-chemogenomics strategy identifies new drugs with potential activity against multiple life stages of Schistosoma mansoni

In vitro, in silico and in vivo analysis of novel aromatic amidines against Trypanosoma cruzi

Modern approaches to accelerate discovery of new antischistosomal drugs.

Molecular dynamics simulations of Zika virus NS3 helicase: Insights into RNA binding site activity

Multi-Descriptor Read Across (MuDRA): A Simple and Transparent Approach for Developing Accurate Quantitative Structure–Activity Relationship Models

Natural Compounds as Non-Nucleoside Inhibitors of Zika Virus Polymerase through Integration of In Silico and In Vitro Approaches

Natural products as leads in schistosome drug discovery.

Neolignans from leaves of Nectandra leucantha (Lauraceae) display in vitro antitrypanosomal activity via plasma membrane and mitochondrial damages.

Open drug discovery for the Zika virus

OpenZika: An IBM World Community Grid Project to Accelerate Zika Virus Drug Discovery

Oy Vey! A Comment on "Machine Learning of Toxicological Big Data Enables Read-Across Structure Activity Relationships Outperforming Animal Test Reproducibility"

Pred-Skin: A Fast and Reliable Web Application to Assess Skin Sensitization Effect of Chemicals.

Pred-hERG: A Novel web-Accessible Computational Tool for Predicting Cardiac Toxicity

QSAR-Based Virtual Screening: Advances and Applications in Drug Discovery

QSAR-Driven Design and Discovery of Novel Compounds With Antiplasmodial and Transmission Blocking Activities.

QUIMIOINFORMÁTICA: UMA INTRODUÇÃO

Rational design and 3D-pharmacophore mapping of 5'-thiourea-substituted alpha-thymidine analogues as mycobacterial TMPK inhibitors

Selective Bias Virtual Screening for Discovery of Promising Antimalarial Candidates targeting Plasmodium N-Myristoyltransferase

Structural and chemical basis for enhanced affinity to a series of mycobacterial thymidine monophosphate kinase inhibitors: fragment-based QSAR and QM/MM docking studies

Structure-based prediction and biosynthesis of the major mammalian metabolite of the cardioactive prototype LASSBio-294

Synthesis and molecular modelling studies of pyrimidinones and pyrrolo[3,4-d]-pyrimidinodiones as new antiplasmodial compounds.

Synthesis, Docking Studies, Pharmacological Activity and Toxicity of a Novel Pyrazole Derivative (LQFM 021)—Possible Effects on Phosphodiesterase ⬇️

The antidepressant drug paroxetine as a new lead candidate in schistosome drug discovery

Three-Dimensional Quantitative Structure-Activity Relationships for a Large Series of Potent Antitubercular Agents

Tuning HERG out: antitarget QSAR models for drug development

Unveiling the Antiviral Capabilities of Targeting Human Dihydroorotate Dehydrogenase against SARS-CoV-2

Unveiling the Kinomes of and Empowers the Discovery of New Kinase Targets and Antileishmanial Compounds

Virtual screening strategies in medicinal chemistry: the state of the art and current challenges.