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Synthesis of New Quinoline-Piperonal Hybrids as Potential Drugs against Alzheimer's Disease

International journal of molecular sciences, 2019-08, Vol.20 (16), p.3944

2019

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Molecular Modeling and In Vitro Studies of a Neutral Oxime as a Potential Reactivator for Acetylcholinesterase Inhibited by Paraoxon

Molecules (Basel, Switzerland), 2018-11, Vol.23 (11), p.2954

2018

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Discovery Science highlights from the 17th International Conference on Malignant Lymphoma

Hematological oncology, 2024-05, Vol.42 (3), p.e3275-n/a

2024

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Molecular modeling of Mannich phenols as reactivators of human acetylcholinesterase inhibited by A-series nerve agents

Chemico-biological interactions, 2023-09, Vol.382, p.110622-110622, Article 110622

2023

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Molecular modeling study of natural products as potential bioactive compounds against SARS-CoV-2

Journal of molecular modeling, 2023-06, Vol.29 (6), p.183-183, Article 183

2023

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Biodegradation of Organophosphorus Compounds Predicted by Enzymatic Process Using Molecular Modelling and Observed in Soil Samples Through Analytical Techniques and Microbiological Analysis: A Comparison

Molecules (Basel, Switzerland), 2019-12, Vol.25 (1), p.58

2019

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Sustainable ionic liquids-based molecular platforms for designing acetylcholinesterase reactivators

Chemico-biological interactions, 2023-11, Vol.385, p.110735-110735, Article 110735

2023

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Electronic and spectroscopic properties of A-series nerve agents

Computational and theoretical chemistry, 2021-08, Vol.1202, p.113321, Article 113321

2021

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Rational Design of a New Class of Toll-Like Receptor 4 (TLR4) Tryptamine Related Agonists by Means of the Structure- and Ligand-Based Virtual Screening for Vaccine Adjuvant Discovery

Molecules (Basel, Switzerland), 2018-01, Vol.23 (1), p.102

2018

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Ligand-Based Virtual Screening, Molecular Docking, Molecular Dynamics, and MM-PBSA Calculations towards the Identification of Potential Novel Ricin Inhibitors

Toxins, 2020-11, Vol.12 (12), p.746

2020

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Molecular Modeling Studies on the Interactions of Aflatoxin B1 and Its Metabolites with Human Acetylcholinesterase. Part II: Interactions with the Catalytic Anionic Site (CAS)

Toxins, 2018-09, Vol.10 (10), p.389

2018

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Identification of novel potential ricin inhibitors by virtual screening, molecular docking, molecular dynamics and MM-PBSA calculations: a drug repurposing approach

Journal of biomolecular structure & dynamics, 2022-08, Vol.40 (12), p.5309-5319

2022

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Molecular modeling studies on the interactions of aflatoxin B1 and its metabolites with the peripheral anionic site of human acetylcholinesterase

Journal of biomolecular structure & dynamics, 2019-05, Vol.37 (8), p.2041-2048

2019

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Design, synthesis, in silico studies and in vitro evaluation of isatin-pyridine oximes hybrids as novel acetylcholinesterase reactivators

Journal of enzyme inhibition and medicinal chemistry, 2021-01, Vol.36 (1), p.1369-1376

2021

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In silico studies of semi-synthetic benzo[a]phenazines as inhibitors of dihydrofolate reductase from Plasmodium falciparum

Journal of molecular structure, 2021-08, Vol.1237, p.130404, Article 130404

2021

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Synthesis and in vitro evaluation of neutral aryloximes as reactivators of Electrophorus eel acetylcholinesterase inhibited by NEMP, a VX surrogate

Chemico-biological interactions, 2019-08, Vol.309, p.108682-108682, Article 108682

2019

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Surface screening, molecular modeling and in vitro studies on the interactions of aflatoxin M1 and human enzymes acetyl- and butyrylcholinesterase

Chemico-biological interactions, 2019-08, Vol.308, p.113-119

2019

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Docking and molecular dynamics studies of peripheral site ligand-oximes as reactivators of sarin-inhibited human acetylcholinesterase

Journal of biomolecular structure & dynamics, 2016-12, Vol.34 (12), p.2632-2642

2016

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In silico study of the interaction of phenazines with tuberculostatic activity with known molecular targets of Mycobacterium tuberculosis

Results in Chemistry, 2023-12, Vol.6, p.101094, Article 101094

2023

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Complete chemical shift assignment and molecular modeling studies of two chromene derivatives as potential leads for new anticancer drugs

Journal of biomolecular structure & dynamics, 2021-09, Vol.39 (15), p.5498-5508

2021

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Differential Angiogenic Induction Impacts Nasal Polyp Tissue Growth

Indian journal of otolaryngology, and head, and neck surgery, 2023-04, Vol.75 (Suppl 1), p.893-900

2023

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COMPARAÇÃO ENTRE MÉTODOS PARA DETERMINAÇÃO DE CARGAS ATÔMICAS EM SISTEMAS MOLECULARES: A MOLÉCULA N-{N-(PTERINA-7-IL)CARBONILGLICIL}-L-TIROSINA (NNPT)

Química Nova, 2021-02, Vol.44 (2), p.161-171

2021

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Quantitative NMR Interpretation without Reference

Journal of analytical methods in chemistry, 2022-11, Vol.2022, p.1-6

2022

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Synthesis and docking studies of three new diaminochromenes as potential leads for anticancer drugs

Journal of biomolecular structure & dynamics, 2021-09, Vol.39 (14), p.5005-5013

2021

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Photoactivation of ROS Production In Situ Transiently Activates Cell Proliferation in Mouse Skin and in the Hair Follicle Stem Cell Niche Promoting Hair Growth and Wound Healing

Journal of investigative dermatology, 2015-11, Vol.135 (11), p.2611-2622

2015

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Synthesis of New Quinoline-Piperonal Hybrids as Potential Drugs against Alzheimer's Disease

Molecular Modeling and In Vitro Studies of a Neutral Oxime as a Potential Reactivator for Acetylcholinesterase Inhibited by Paraoxon

Discovery Science highlights from the 17th International Conference on Malignant Lymphoma

Molecular modeling of Mannich phenols as reactivators of human acetylcholinesterase inhibited by A-series nerve agents

Molecular modeling study of natural products as potential bioactive compounds against SARS-CoV-2

Biodegradation of Organophosphorus Compounds Predicted by Enzymatic Process Using Molecular Modelling and Observed in Soil Samples Through Analytical Techniques and Microbiological Analysis: A Comparison

Sustainable ionic liquids-based molecular platforms for designing acetylcholinesterase reactivators

Electronic and spectroscopic properties of A-series nerve agents

Rational Design of a New Class of Toll-Like Receptor 4 (TLR4) Tryptamine Related Agonists by Means of the Structure- and Ligand-Based Virtual Screening for Vaccine Adjuvant Discovery

Ligand-Based Virtual Screening, Molecular Docking, Molecular Dynamics, and MM-PBSA Calculations towards the Identification of Potential Novel Ricin Inhibitors

Molecular Modeling Studies on the Interactions of Aflatoxin B1 and Its Metabolites with Human Acetylcholinesterase. Part II: Interactions with the Catalytic Anionic Site (CAS)

Identification of novel potential ricin inhibitors by virtual screening, molecular docking, molecular dynamics and MM-PBSA calculations: a drug repurposing approach

Molecular modeling studies on the interactions of aflatoxin B1 and its metabolites with the peripheral anionic site of human acetylcholinesterase

Design, synthesis, in silico studies and in vitro evaluation of isatin-pyridine oximes hybrids as novel acetylcholinesterase reactivators

In silico studies of semi-synthetic benzo[a]phenazines as inhibitors of dihydrofolate reductase from Plasmodium falciparum

Synthesis and in vitro evaluation of neutral aryloximes as reactivators of Electrophorus eel acetylcholinesterase inhibited by NEMP, a VX surrogate

Surface screening, molecular modeling and in vitro studies on the interactions of aflatoxin M1 and human enzymes acetyl- and butyrylcholinesterase

Docking and molecular dynamics studies of peripheral site ligand-oximes as reactivators of sarin-inhibited human acetylcholinesterase

In silico study of the interaction of phenazines with tuberculostatic activity with known molecular targets of Mycobacterium tuberculosis

Complete chemical shift assignment and molecular modeling studies of two chromene derivatives as potential leads for new anticancer drugs

Differential Angiogenic Induction Impacts Nasal Polyp Tissue Growth

COMPARAÇÃO ENTRE MÉTODOS PARA DETERMINAÇÃO DE CARGAS ATÔMICAS EM SISTEMAS MOLECULARES: A MOLÉCULA N-{N-(PTERINA-7-IL)CARBONILGLICIL}-L-TIROSINA (NNPT)

Quantitative NMR Interpretation without Reference

Synthesis and docking studies of three new diaminochromenes as potential leads for anticancer drugs

Photoactivation of ROS Production In Situ Transiently Activates Cell Proliferation in Mouse Skin and in the Hair Follicle Stem Cell Niche Promoting Hair Growth and Wound Healing

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