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Biological evaluation and molecular modeling of peptidomimetic compounds as inhibitors for O-GlcNAc transferase (OGT)

European journal of pharmaceutical sciences, 2020-11, Vol.154, p.105510-105510, Article 105510

2020

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Designing and planning the downstream oil supply chain under uncertainty using a fuzzy programming approach

Computers & chemical engineering, 2021-08, Vol.151, p.107373, Article 107373

2021

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In-vitro biological evaluation of 3,3',5,5'-tetramethoxy-biphenyl-4,4'-diol and molecular docking studies on trypanothione reductase and Gp63 from Leishmania amazonensis demonstrated anti-leishmania potential

Scientific reports, 2023-04, Vol.13 (1), p.6928-6928, Article 6928

2023

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Hydroxyl group interactions in metal dithiocarbamate complexes containing 2-hydroxyethyl substituents. Crystal structure determination, theoretical and Hirshfeld surface study of tris(2-hydroxyethyl(ethyl)amino-dithiocarbamato)indium(III). Survey of hydroxyl group interactions in metal tris(dithiocarbamato) complexes containing 2-hydroxyethyl substituents

Journal of molecular structure, 2022-12, Vol.1269, p.133783, Article 133783

2022

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3-Acyltetramic acids as a novel class of inhibitors for human kallikreins 5 and 7

Bioorganic & medicinal chemistry letters, 2019-05, Vol.29 (9), p.1094-1098

2019

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Trypanocidal activity of new 1,6-diphenyl-1H-pyrazolo[3,4-b]pyridine derivatives: Synthesis, in vitro and in vivo studies

Bioorganic & medicinal chemistry, 2021-01, Vol.29, p.115855-115855, Article 115855

2021

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Cyclodextrin-encapsulated new drug with promising anti-Trypanosoma cruzi activity

Journal of thermal analysis and calorimetry, 2023-10, Vol.148 (20), p.10821-10834

2023

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Exploring Urease Inhibition by Coumarin Derivatives through in silico and in vitro Methods

Journal of the Brazilian Chemical Society, 2024, Vol.35 (4)

2024

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Downstream oil supply chain management: A critical review and future directions

Computers & chemical engineering, 2016-09, Vol.92, p.78-92

2016

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Molecular dynamics simulations of aqueous systems of inhibitor candidates for adenosine-5'-phosphosufate reductase

Journal of biomolecular structure & dynamics, 2023-04, Vol.41 (6), p.2466-2477

2023

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Statine-based peptidomimetic compounds as inhibitors for SARS-CoV-2 main protease (SARS-CoV‑2 Mpro)

Scientific reports, 2024-04, Vol.14 (1), p.8991-8991

2024

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Investigation of the antileishmanial activity and mechanisms of action of acetyl-thiohydantoins

Chemico-biological interactions, 2022-01, Vol.351, p.109690-109690, Article 109690

2022

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In vitro evaluation of antitrypanosomal activity and molecular docking of benzoylthioureas

Parasitology international, 2021-02, Vol.80, p.102225-102225, Article 102225

2021

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Theoretical study of binuclear Cu-M complexes (M = Zn, Cu, Ni) with p-xylylene-bridged-bis(1,4,7-triazacyclononane) ligands: Possible CuZnSOD mimics

Inorganica Chimica Acta, 2020-02, Vol.501, p.119232, Article 119232

2020

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Estruturas invisíveis de segregação na Região Metropolitana de Goiânia

Revista brasileira de estudos de população, 2019, Vol.36, p.1-31

2019

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Aqueous Molecular Dynamics Simulations of the M. tuberculosis Enoyl-ACP Reductase-NADH System and Its Complex with a Substrate Mimic or Diphenyl Ethers Inhibitors

International journal of molecular sciences, 2015-10, Vol.16 (10), p.23695-23722

2015

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Molecular modeling of indazole-3-carboxylic acid and its metal complexes (Zn, Ni, Co, Fe and Mn) as NO synthase inhibitors: DFT calculations, docking studies and molecular dynamics simulations

Inorganic chemistry communications, 2022-01, Vol.135, p.109120, Article 109120

2022

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Hologram QSAR models of a series of 6-arylquinazolin-4-amine inhibitors of a new Alzheimer's disease target: dual specificity tyrosine-phosphorylation-regulated kinase-1A enzyme

International journal of molecular sciences, 2015-03, Vol.16 (3), p.5235-5253

2015

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Antileishmanial Activity of 4,8-Dimethoxynaphthalenyl Chalcones on Leishmania amazonensis

Antibiotics (Basel), 2022-10, Vol.11 (10), p.1402

2022

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Isosorbide-based peptidomimetics as inhibitors of hepatitis C virus serine protease

Bioorganic & medicinal chemistry letters, 2017-08, Vol.27 (16), p.3661-3665

2017

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Synthesis and antimycobacterial activity of N′-[( E)-(monosubstituted-benzylidene)]-2-pyrazinecarbohydrazide derivatives

European journal of medicinal chemistry, 2009-12, Vol.44 (12), p.4954-4959

2009

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Py-CoMFA, docking, and molecular dynamics simulations of Leishmania (L.) amazonensis arginase inhibitors

Scientific reports, 2024-05, Vol.14 (1), p.11575-11575

2024

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Molecular modelling studies and in vitro enzymatic assays identified A 4-(nitrobenzyl)guanidine derivative as inhibitor of SARS-CoV-2 Mpro

Scientific reports, 2024-04, Vol.14 (1), p.8620-8620

2024

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Anti-Mycobacterial Evaluation of 7-Chloro-4-Aminoquinolines and Hologram Quantitative Structure-Activity Relationship (HQSAR) Modeling of Amino-Imino Tautomers

Pharmaceuticals (Basel, Switzerland), 2017-06, Vol.10 (2), p.52

2017

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Stochastic programming approach for the optimal tactical planning of the downstream oil supply chain

Computers & chemical engineering, 2018-01, Vol.108, p.314-336

2018

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Biological evaluation and molecular modeling of peptidomimetic compounds as inhibitors for O-GlcNAc transferase (OGT)

Designing and planning the downstream oil supply chain under uncertainty using a fuzzy programming approach

In-vitro biological evaluation of 3,3',5,5'-tetramethoxy-biphenyl-4,4'-diol and molecular docking studies on trypanothione reductase and Gp63 from Leishmania amazonensis demonstrated anti-leishmania potential

3-Acyltetramic acids as a novel class of inhibitors for human kallikreins 5 and 7

Trypanocidal activity of new 1,6-diphenyl-1H-pyrazolo[3,4-b]pyridine derivatives: Synthesis, in vitro and in vivo studies

Cyclodextrin-encapsulated new drug with promising anti-Trypanosoma cruzi activity

Exploring Urease Inhibition by Coumarin Derivatives through in silico and in vitro Methods

Downstream oil supply chain management: A critical review and future directions

Molecular dynamics simulations of aqueous systems of inhibitor candidates for adenosine-5'-phosphosufate reductase

Statine-based peptidomimetic compounds as inhibitors for SARS-CoV-2 main protease (SARS-CoV‑2 Mpro)

Investigation of the antileishmanial activity and mechanisms of action of acetyl-thiohydantoins

In vitro evaluation of antitrypanosomal activity and molecular docking of benzoylthioureas

Theoretical study of binuclear Cu-M complexes (M = Zn, Cu, Ni) with p-xylylene-bridged-bis(1,4,7-triazacyclononane) ligands: Possible CuZnSOD mimics

Estruturas invisíveis de segregação na Região Metropolitana de Goiânia

Aqueous Molecular Dynamics Simulations of the M. tuberculosis Enoyl-ACP Reductase-NADH System and Its Complex with a Substrate Mimic or Diphenyl Ethers Inhibitors

Molecular modeling of indazole-3-carboxylic acid and its metal complexes (Zn, Ni, Co, Fe and Mn) as NO synthase inhibitors: DFT calculations, docking studies and molecular dynamics simulations

Hologram QSAR models of a series of 6-arylquinazolin-4-amine inhibitors of a new Alzheimer's disease target: dual specificity tyrosine-phosphorylation-regulated kinase-1A enzyme

Antileishmanial Activity of 4,8-Dimethoxynaphthalenyl Chalcones on Leishmania amazonensis

Isosorbide-based peptidomimetics as inhibitors of hepatitis C virus serine protease

Synthesis and antimycobacterial activity of N′-[( E)-(monosubstituted-benzylidene)]-2-pyrazinecarbohydrazide derivatives

Py-CoMFA, docking, and molecular dynamics simulations of Leishmania (L.) amazonensis arginase inhibitors

Molecular modelling studies and in vitro enzymatic assays identified A 4-(nitrobenzyl)guanidine derivative as inhibitor of SARS-CoV-2 Mpro

Anti-Mycobacterial Evaluation of 7-Chloro-4-Aminoquinolines and Hologram Quantitative Structure-Activity Relationship (HQSAR) Modeling of Amino-Imino Tautomers

Stochastic programming approach for the optimal tactical planning of the downstream oil supply chain

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