List of works - Marcelo S Castilho

2D QSAR studies on thyroid hormone receptor ligands.

scientific article published on 10 April 2007

2D Quantitative structure-activity relationship studies on a series of cholesteryl ester transfer protein inhibitors

scientific article published on 13 June 2007

A novel scaffold to fight Pseudomonas aeruginosa pyocyanin production: early steps to novel antivirulence drugs

scientific article published on 10 August 2020

Adenosine binding to low-molecular-weight purine nucleoside phosphorylase: the structural basis for recognition based on its complex with the enzyme from Schistosoma mansoni

scientific article

An integrated approach towards the discovery of novel non-nucleoside Leishmania major pteridine reductase 1 inhibitors.

scientific article published on 27 March 2017

Benchmark Sets for Binding Hot Spot Identification in Fragment-Based Ligand Discovery

scientific article published on 08 December 2020

Cloning, expression, purification and spectrophotometric analysis of lanosterol 14-alpha demethylase from Leishmania braziliensis (LbCYP51).

scientific article

Combined Strategies to Improve the Expression of Recombinant Sterol C24-Methyltransferase from Leishmania braziliensis in E. coli

scientific article published on 01 April 2018

Crystal structure of Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase complexed with an analogue of 1,3-bisphospho-d-glyceric acid

scientific article

Discovery of new inhibitors of Schistosoma mansoni PNP by pharmacophore-based virtual screening.

scientific article

Dual and selective inhibitors of pteridine reductase 1 (PTR1) and dihydrofolate reductase-thymidylate synthase (DHFR-TS) from Leishmania chagasi

scientific article published on 01 December 2019

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

scientific article published in February 2008

Identification, characterization and molecular modelling studies of Schistosoma mansoni Dihydrofolate Reductase inhibitors: From assay development to hit identification.

scientific article published on 9 May 2018

In vitro and in silico studies of 3-hydroxy-3-methyl-glutaryl coenzyme A reductase inhibitory activity of the cowpea Gln-Asp-Phe peptide.

scientific article published on 29 March 2018

Isolation and structure determination of bioactive isoflavones from callus culture of Dipteryx odorata. ⬇️

scientific article published in July 2005

Ligand-based design, synthesis and biochemical evaluation of potent and selective inhibitors of Schistosoma mansoni dihydroorotate dehydrogenase

scientific article published on 08 February 2019

Molecular Cloning and Biochemical Characterization of Iron Superoxide Dismutase from Leishmania braziliensis

scientific article published on 01 August 2018

Nanomolar anti-sickling compounds identified by ligand-based pharmacophore approach.

scientific article published on 12 May 2017

Quantitative insights towards the design of potent deazaxanthine antagonists of adenosine 2B receptors

scientific article published on 3 October 2013

Structural basis for selective inhibition of purine nucleoside phosphorylase from Schistosoma mansoni: kinetic and structural studies

scientific article

Structure-activity relationships for a class of selective inhibitors of the major cysteine protease from Trypanosoma cruzi

scientific article published on 01 December 2008

Structure-based Druggability Assessment of Anti-virulence Targets from Pseudomonas aeruginosa

scientific article published on 01 January 2019

Structure-guided discovery of thiazolidine-2,4-dione derivatives as a novel class of Leishmania major pteridine reductase 1 inhibitors

scientific article published on 25 July 2016

Synthesis and Biological Evaluation of the Coumarins Derivatives as Potential Inhibitors of the Production of the Pseudomonas aeruginosa Virulence Factor Pyocyanin.

scientific article published on 29 March 2018

Synthesis and biological evaluation of thiazole derivatives as LbSOD inhibitors

scientific article published on 01 December 2019

Two- and three-dimensional quantitative structure-activity relationships for a series of purine nucleoside phosphorylase inhibitors.

scientific article

Virtual screening and biological evaluation of novel antipyretic compounds.

scientific article published on 8 April 2017

List of works by Marcelo S Castilho

2D QSAR studies on thyroid hormone receptor ligands.

2D Quantitative structure-activity relationship studies on a series of cholesteryl ester transfer protein inhibitors

A novel scaffold to fight Pseudomonas aeruginosa pyocyanin production: early steps to novel antivirulence drugs

Adenosine binding to low-molecular-weight purine nucleoside phosphorylase: the structural basis for recognition based on its complex with the enzyme from Schistosoma mansoni

An integrated approach towards the discovery of novel non-nucleoside Leishmania major pteridine reductase 1 inhibitors.

Benchmark Sets for Binding Hot Spot Identification in Fragment-Based Ligand Discovery

Cloning, expression, purification and spectrophotometric analysis of lanosterol 14-alpha demethylase from Leishmania braziliensis (LbCYP51).

Combined Strategies to Improve the Expression of Recombinant Sterol C24-Methyltransferase from Leishmania braziliensis in E. coli

Crystal structure of Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase complexed with an analogue of 1,3-bisphospho-d-glyceric acid

Discovery of new inhibitors of Schistosoma mansoni PNP by pharmacophore-based virtual screening.

Dual and selective inhibitors of pteridine reductase 1 (PTR1) and dihydrofolate reductase-thymidylate synthase (DHFR-TS) from Leishmania chagasi

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

Identification, characterization and molecular modelling studies of Schistosoma mansoni Dihydrofolate Reductase inhibitors: From assay development to hit identification.

In vitro and in silico studies of 3-hydroxy-3-methyl-glutaryl coenzyme A reductase inhibitory activity of the cowpea Gln-Asp-Phe peptide.

Isolation and structure determination of bioactive isoflavones from callus culture of Dipteryx odorata. ⬇️

Ligand-based design, synthesis and biochemical evaluation of potent and selective inhibitors of Schistosoma mansoni dihydroorotate dehydrogenase

Molecular Cloning and Biochemical Characterization of Iron Superoxide Dismutase from Leishmania braziliensis

Nanomolar anti-sickling compounds identified by ligand-based pharmacophore approach.

Quantitative insights towards the design of potent deazaxanthine antagonists of adenosine 2B receptors

Structural basis for selective inhibition of purine nucleoside phosphorylase from Schistosoma mansoni: kinetic and structural studies

Structure-activity relationships for a class of selective inhibitors of the major cysteine protease from Trypanosoma cruzi

Structure-based Druggability Assessment of Anti-virulence Targets from Pseudomonas aeruginosa

Structure-guided discovery of thiazolidine-2,4-dione derivatives as a novel class of Leishmania major pteridine reductase 1 inhibitors

Synthesis and Biological Evaluation of the Coumarins Derivatives as Potential Inhibitors of the Production of the Pseudomonas aeruginosa Virulence Factor Pyocyanin.

Synthesis and biological evaluation of thiazole derivatives as LbSOD inhibitors

Two- and three-dimensional quantitative structure-activity relationships for a series of purine nucleoside phosphorylase inhibitors.

Virtual screening and biological evaluation of novel antipyretic compounds.