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Identification of Novel Chemical Entities for Adenosine Receptor Type 2A Using Molecular Modeling Approaches

Molecules (Basel, Switzerland), 2020-03, Vol.25 (5), p.1245

2020

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Identification of Novel Protein Kinase Receptor Type 2 Inhibitors Using Pharmacophore and Structure-Based Virtual Screening

Molecules (Basel, Switzerland), 2018-02, Vol.23 (2), p.453

2018

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In Silico Evaluation of Ibuprofen and Two Benzoylpropionic Acid Derivatives with Potential Anti-Inflammatory Activity

Molecules (Basel, Switzerland), 2019-04, Vol.24 (8), p.1476

2019

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A SAR and QSAR study of new artemisinin compounds with antimalarial activity

Molecules (Basel, Switzerland), 2014-01, Vol.19 (1), p.367-399

2014

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A QSAR, pharmacokinetic and toxicological study of new artemisinin compounds with anticancer activity

Molecules (Basel, Switzerland), 2014-07, Vol.19 (8), p.10670-10697

2014

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Analgesic Activity of 5-Acetamido-2-Hydroxy Benzoic Acid Derivatives and an In-Vivo and In-Silico Analysis of Their Target Interactions

Pharmaceuticals (Basel, Switzerland), 2023-11, Vol.16 (11), p.1584

2023

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A comparative theoretical mechanism on simplified flavonoid derivatives and isoxazolone analogous as Michael system inhibitor

Journal of molecular modeling, 2021-01, Vol.27 (2), p.26-26, Article 26

2021

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Molecular modification approach on kojic acid derivatives as antioxidants related to ascorbic acid

Journal of molecular modeling, 2020-11, Vol.26 (11), p.318-318, Article 318

2020

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Application of Chemometric Techniques for Validation of Computational Methods Applied in Molecular Modeling of 6α-Hidroxyvouacapan-7β, 17β-Lactone with Antiproliferative Activity in Leukemia Cells

Journal of computational and theoretical nanoscience, 2020-11, Vol.17 (11), p.4855-4865

2020

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Ligand- and Structure-Based Drug Design of Novel Calcium Channel Blockers

Journal of computational and theoretical nanoscience, 2017-07, Vol.14 (7), p.3489-3502

2017

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Structure-based drug design for protein arginine deiminase Type IV (PAD4) receptor: Chemoinformatics approach

Chemical physics impact, 2024-06, Vol.8, p.100464, Article 100464

2024

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Quercetin analogues of kojic acid as strong antioxidant derivatives: Theoretical insights

Journal of molecular structure, 2025-02, Vol.1322, p.140480, Article 140480

2025

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A comparative study between kojic acid and its methylated derivatives as antioxidant related to maltol and alomaltol

Chemical Data Collections, 2020-08, Vol.28, p.100464, Article 100464

2020

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Chemical Study, Predictions In Silico and Larvicide Activity of the Essential Oil of Root Philodendron deflexum Poepp. (Journal of Computational and Theoretical Nanoscience, Vol. 14(7), pp. 3330–3337 (2017))

Journal of computational and theoretical nanoscience, 2018-04, Vol.15 (4), p.1427-1427

2018

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Rational Design of Antimalarial Drugs Using Molecular Modeling and Statistical Analysis

Current pharmaceutical design, 2015-01, Vol.21 (28), p.4112-4127

2015

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Molecular Modeling: Origin, Fundamental Concepts and Applications Using Structure-Activity Relationship and Quantitative Structure-Activity Relationship

Reviews in theoretical science, 2014-06, Vol.2 (2), p.91-115

2014

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Chemical Study, Predictions In Silico and Larvicide Activity of the Essential Oil of Root Philodendron deflexum Poepp

Journal of computational and theoretical nanoscience, 2017-07, Vol.14 (7), p.3330-3337

2017

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Determination of Trace-metals in Sediments and Plants on Canal of Jandiá and Igarape of Fortaleza in Macapá-AP-Brazil

American chemical science journal, 2014-01, Vol.4 (6), p.706-714

2014

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Oral Administration of Euterpe oleracea Mart., Its Influence over Body Weight and Lymphoid Organs and Alterations in Haematological and Glycaemical Parameters

British journal of pharmaceutical research, 2014-11, Vol.4 (21), p.2484-2493

2014

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Application of Hartree-Fock Method for Modeling of Bioactive Molecules Using SAR and QSPR

Computational molecular bioscience, 2014, Vol.4 (1), p.1-24

2014

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Evaluation of Quantum Chemical Methods and Basis Sets Applied in the Molecular Modeling of Artemisinin

Computational molecular bioscience, 2013, Vol.3 (3), p.66-79

2013

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Computational Chemistry Programs as a Facilitating Tool in the Teaching and learning Process

British Journal of Education, Society & Behavioural Science, 2015-01, Vol.8 (2), p.134-146

2015

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Molecular Modeling as Motivating Tool in Teaching and Learning in Mechanisms of Diels-Alder Reactions

Revista Virtual de Química, 2016, Vol.8 (6), p.2026-2041

2016

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Identification of Novel Chemical Entities for Adenosine Receptor Type 2A Using Molecular Modeling Approaches

Identification of Novel Protein Kinase Receptor Type 2 Inhibitors Using Pharmacophore and Structure-Based Virtual Screening

In Silico Evaluation of Ibuprofen and Two Benzoylpropionic Acid Derivatives with Potential Anti-Inflammatory Activity

A SAR and QSAR study of new artemisinin compounds with antimalarial activity

A QSAR, pharmacokinetic and toxicological study of new artemisinin compounds with anticancer activity

Analgesic Activity of 5-Acetamido-2-Hydroxy Benzoic Acid Derivatives and an In-Vivo and In-Silico Analysis of Their Target Interactions

A comparative theoretical mechanism on simplified flavonoid derivatives and isoxazolone analogous as Michael system inhibitor

Molecular modification approach on kojic acid derivatives as antioxidants related to ascorbic acid

Application of Chemometric Techniques for Validation of Computational Methods Applied in Molecular Modeling of 6α-Hidroxyvouacapan-7β, 17β-Lactone with Antiproliferative Activity in Leukemia Cells

Ligand- and Structure-Based Drug Design of Novel Calcium Channel Blockers

Structure-based drug design for protein arginine deiminase Type IV (PAD4) receptor: Chemoinformatics approach

Quercetin analogues of kojic acid as strong antioxidant derivatives: Theoretical insights

A comparative study between kojic acid and its methylated derivatives as antioxidant related to maltol and alomaltol

Chemical Study, Predictions In Silico and Larvicide Activity of the Essential Oil of Root Philodendron deflexum Poepp. (Journal of Computational and Theoretical Nanoscience, Vol. 14(7), pp. 3330–3337 (2017))

Rational Design of Antimalarial Drugs Using Molecular Modeling and Statistical Analysis

Molecular Modeling: Origin, Fundamental Concepts and Applications Using Structure-Activity Relationship and Quantitative Structure-Activity Relationship

Chemical Study, Predictions In Silico and Larvicide Activity of the Essential Oil of Root Philodendron deflexum Poepp

Determination of Trace-metals in Sediments and Plants on Canal of Jandiá and Igarape of Fortaleza in Macapá-AP-Brazil

Oral Administration of Euterpe oleracea Mart., Its Influence over Body Weight and Lymphoid Organs and Alterations in Haematological and Glycaemical Parameters

Application of Hartree-Fock Method for Modeling of Bioactive Molecules Using SAR and QSPR

Evaluation of Quantum Chemical Methods and Basis Sets Applied in the Molecular Modeling of Artemisinin

Computational Chemistry Programs as a Facilitating Tool in the Teaching and learning Process

Molecular Modeling as Motivating Tool in Teaching and Learning in Mechanisms of Diels-Alder Reactions

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