Simone Q. Pantaleao

Santo Andre, SP, Brazil

Last Updated: 09/26/2026

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Found 16 publications

DPP-IV and FAP-α as Targets of Drug Design: A Comparative Structural Analysis of Molecular Features and Biological Implications.

DPP-IV and FAP-α as Targets of Drug Design: A Comparative Structural Analysis of Molecular Features and Biological Implications.

Journal: Medicinal chemistry (Shariqah (United Arab Emirates))

Published: September 26, 2025

Design, synthesis and evaluation of fluorescent dihydropyridine-dihydropyrimidinone hybrids as inducers of cell-cycle arrest in a prostate cancer cell line via Aurora kinase interactions.

Design, synthesis and evaluation of fluorescent dihydropyridine-dihydropyrimidinone hybrids as inducers of cell-cycle arrest in a prostate cancer cell line via Aurora kinase interactions.

Journal: RSC medicinal chemistry

Published: July 21, 2025

Correction: Molecular modelling of the HCMV IL-10 protein isoforms and analysis of their interaction with the human IL-10 receptor.

Correction: Molecular modelling of the HCMV IL-10 protein isoforms and analysis of their interaction with the human IL-10 receptor.

Journal: PloS one

Published: November 30, 2023

MASSA Algorithm: an automated rational sampling of training and test subsets for QSAR modeling.

MASSA Algorithm: an automated rational sampling of training and test subsets for QSAR modeling.

Journal: Journal of computer-aided molecular design

Published: June 06, 2023

Structural analysis of factors related to FAM3C/ILEI dimerization and identification of inhibitor candidates targeting cancer treatment.

Structural analysis of factors related to FAM3C/ILEI dimerization and identification of inhibitor candidates targeting cancer treatment.

Journal: Computational biology and chemistry

Published: December 22, 2022

Unveiling mutation effects on the structural dynamics of the main protease from SARS-CoV-2 with hybrid simulation methods.

Unveiling mutation effects on the structural dynamics of the main protease from SARS-CoV-2 with hybrid simulation methods.

Journal: Journal of molecular graphics & modelling

Published: October 10, 2022

Molecular modelling of the HCMV IL-10 protein isoforms and analysis of their interaction with the human IL-10 receptor.

Molecular modelling of the HCMV IL-10 protein isoforms and analysis of their interaction with the human IL-10 receptor.

Journal: PloS one

Published: June 16, 2022

Relationship between Hormonal Modulation and Gastroprotective Activity of Malvidin and Cyanidin Chloride: In Vivo and In Silico Approach.

Relationship between Hormonal Modulation and Gastroprotective Activity of Malvidin and Cyanidin Chloride: In Vivo and In Silico Approach.

Journal: Pharmaceutics

Published: January 10, 2022

Virtual screening and in vitro assays of novel hits as promising DPP-4 inhibitors.

Virtual screening and in vitro assays of novel hits as promising DPP-4 inhibitors.

Journal: Biochimie

Published: October 05, 2021

Recent Advances in the Prediction of Pharmacokinetics Properties in Drug Design Studies: A Review.

Recent Advances in the Prediction of Pharmacokinetics Properties in Drug Design Studies: A Review.

Journal: ChemMedChem

Published: August 09, 2021

Integrated Protocol to Design Potential Inhibitors of Dipeptidyl Peptidase- 4 (DPP-4).

Integrated Protocol to Design Potential Inhibitors of Dipeptidyl Peptidase- 4 (DPP-4).

Journal: Current topics in medicinal chemistry

Published: October 04, 2019

Competition Between Phenothiazines and BH3 Peptide for the Binding Site of the Antiapoptotic BCL-2 Protein.

Competition Between Phenothiazines and BH3 Peptide for the Binding Site of the Antiapoptotic BCL-2 Protein.

Journal: Frontiers in chemistry

Published: September 27, 2019

Showing 1-12 of 16

Last Updated: 09/26/2026