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Multitask Deep Neural Networks for Ames Mutagenicity Prediction

Journal of chemical information and modeling, 2022-12, Vol.62 (24), p.6342-6351

2022

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QSAR Classification Models for Predicting the Activity of Inhibitors of Beta-Secretase (BACE1) Associated with Alzheimer's Disease

Scientific reports, 2019-06, Vol.9 (1), p.9102-13, Article 9102

2019

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Hybridizing Feature Selection and Feature Learning Approaches in QSAR Modeling for Drug Discovery

Scientific reports, 2017-05, Vol.7 (1), p.2403-19, Article 2403

2017

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Multitarget drugs as potential therapeutic agents for alzheimer's disease. A new family of 5-substituted indazole derivatives as cholinergic and BACE1 inhibitors

Journal of enzyme inhibition and medicinal chemistry, 2022-12, Vol.37 (1), p.2348-2356

2022

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New cannabinoid receptor antagonists as pharmacological tool

Bioorganic & medicinal chemistry, 2020-10, Vol.28 (19), p.115672-115672, Article 115672

2020

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Indazolylketones as new multitarget cannabinoid drugs

European journal of medicinal chemistry, 2019-03, Vol.166, p.90-107

2019

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Targeting Cannabinoid Receptor Activation and BACE-1 Activity Counteracts TgAPP Mice Memory Impairment and Alzheimer’s Disease Lymphoblast Alterations

Molecular neurobiology, 2020-04, Vol.57 (4), p.1938-1951

2020

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p-Coumaric acid decarboxylase from Lactobacillus plantarum: Structural insights into the active site and decarboxylation catalytic mechanism

Proteins, structure, function, and bioinformatics, 2010-05, Vol.78 (7), p.1662-1676

2010

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Cannabinoid agonists showing BuChE inhibition as potential therapeutic agents for Alzheimer's disease

European journal of medicinal chemistry, 2014-02, Vol.73, p.56-72

2014

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Novel Imidazo[4,5-c][1,2,6]thiadiazine 2,2-dioxides as antiproliferative trypanosoma cruzi drugs: Computational screening from neural network, synthesis and in vivo biological properties

European journal of medicinal chemistry, 2017-08, Vol.136, p.223-234

2017

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Multitarget cannabinoids as novel strategy for Alzheimer disease

Current Alzheimer research, 2013-03, Vol.10 (3), p.229

2013

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Activation of the Cannabinoid Type 2 Receptor by a Novel Indazole Derivative Normalizes the Survival Pattern of Lymphoblasts from Patients with Late-Onset Alzheimer’s Disease

CNS drugs, 2018-06, Vol.32 (6), p.579-591

2018

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Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin CPL-1

The Journal of biological chemistry, 2007-08, Vol.282 (34), p.24990-24999

2007

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Dissimilar interaction of CB1/CB2 with lipid bilayers as revealed by molecular dynamics simulation

Physical chemistry chemical physics : PCCP, 2011-03, Vol.13 (9), p.3660-3668

2011

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Development of second generation amidinohydrazones, thio- and semicarbazones as Trypanosoma cruzi-inhibitors bearing benzofuroxan and benzimidazole 1,3-dioxide core scaffolds

MedChemComm, 2010-09, Vol.1 (3), p.216-228

2010

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Docking, synthesis, and NMR studies of mannosyl trisaccharide ligands for DC-SIGN lectin

Organic & biomolecular chemistry, 2008-01, Vol.6 (15), p.2743-2754

2008

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Artificial neural networks based on CODES descriptors in pharmacology: identification of novel trypanocidal drugs against Chagas disease

Current computer-aided drug design, 2013-03, Vol.9 (1), p.130

2013

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Interaction studies between human α-tocopherol transfer protein and nitric oxide donor tocopherol analogues with LDL-protective activity

Bioorganic & medicinal chemistry, 2009-12, Vol.17 (24), p.8143-8148

2009

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Mutagenicity of N-oxide containing heterocycles and related compounds: experimental and theoretical studies

Current topics in medicinal chemistry, 2014-06, Vol.14 (11), p.1374

2014

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Novel Bronchodilators: Synthesis, Transamination Reactions, and Pharmacology of a Series of Pyrazino[2,3-c][1,2,6]thiadiazine 2,2-Dioxides

Journal of medicinal chemistry, 2000-11, Vol.43 (22), p.4219-4227

2000

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Amidines bearing benzofuroxan or benzimidazole 1,3-dioxide core scaffolds as Trypanosoma cruzi-inhibitors: structural basis for their interactions with cruzipain

MedChemComm, 2012, Vol.3 (1), p.90-101

2012

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Dual-promoter lentiviral vectors for constitutive and regulated gene expression in neurons

Journal of neuroscience methods, 2008-02, Vol.168 (1), p.104-112

2008

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Artificial Neural Networks in ADMET Modeling: Prediction of Blood-Brain Barrier Permeation

QSAR & combinatorial science, 2008-05, Vol.27 (5), p.586-594

2008

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Unconventional Alkoxylation of Pyrazino[2,3-c][1,2,6]thiadiazine 2,2-Dioxides Mediated by N-Halosuccinimides

European journal of organic chemistry, 2002-07, Vol.2002 (13), p.2109-2111

2002

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Novel Arylpyrazino[2,3-c][1,2,6]thiadiazine 2,2-Dioxides as Inhibitors of Platelet Aggregation. 1. Synthesis and Pharmacological Evaluation

Journal of medicinal chemistry, 1999-05, Vol.42 (10), p.1698-1704

1999

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Multitask Deep Neural Networks for Ames Mutagenicity Prediction

QSAR Classification Models for Predicting the Activity of Inhibitors of Beta-Secretase (BACE1) Associated with Alzheimer's Disease

Hybridizing Feature Selection and Feature Learning Approaches in QSAR Modeling for Drug Discovery

Multitarget drugs as potential therapeutic agents for alzheimer's disease. A new family of 5-substituted indazole derivatives as cholinergic and BACE1 inhibitors

New cannabinoid receptor antagonists as pharmacological tool

Indazolylketones as new multitarget cannabinoid drugs

Targeting Cannabinoid Receptor Activation and BACE-1 Activity Counteracts TgAPP Mice Memory Impairment and Alzheimer’s Disease Lymphoblast Alterations

p-Coumaric acid decarboxylase from Lactobacillus plantarum: Structural insights into the active site and decarboxylation catalytic mechanism

Cannabinoid agonists showing BuChE inhibition as potential therapeutic agents for Alzheimer's disease

Novel Imidazo[4,5-c][1,2,6]thiadiazine 2,2-dioxides as antiproliferative trypanosoma cruzi drugs: Computational screening from neural network, synthesis and in vivo biological properties

Multitarget cannabinoids as novel strategy for Alzheimer disease

Activation of the Cannabinoid Type 2 Receptor by a Novel Indazole Derivative Normalizes the Survival Pattern of Lymphoblasts from Patients with Late-Onset Alzheimer’s Disease

Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin CPL-1

Dissimilar interaction of CB1/CB2 with lipid bilayers as revealed by molecular dynamics simulation

Development of second generation amidinohydrazones, thio- and semicarbazones as Trypanosoma cruzi-inhibitors bearing benzofuroxan and benzimidazole 1,3-dioxide core scaffolds

Docking, synthesis, and NMR studies of mannosyl trisaccharide ligands for DC-SIGN lectin

Artificial neural networks based on CODES descriptors in pharmacology: identification of novel trypanocidal drugs against Chagas disease

Interaction studies between human α-tocopherol transfer protein and nitric oxide donor tocopherol analogues with LDL-protective activity

Mutagenicity of N-oxide containing heterocycles and related compounds: experimental and theoretical studies

Novel Bronchodilators: Synthesis, Transamination Reactions, and Pharmacology of a Series of Pyrazino[2,3-c][1,2,6]thiadiazine 2,2-Dioxides

Amidines bearing benzofuroxan or benzimidazole 1,3-dioxide core scaffolds as Trypanosoma cruzi-inhibitors: structural basis for their interactions with cruzipain

Dual-promoter lentiviral vectors for constitutive and regulated gene expression in neurons

Artificial Neural Networks in ADMET Modeling: Prediction of Blood-Brain Barrier Permeation

Unconventional Alkoxylation of Pyrazino[2,3-c][1,2,6]thiadiazine 2,2-Dioxides Mediated by N-Halosuccinimides

Novel Arylpyrazino[2,3-c][1,2,6]thiadiazine 2,2-Dioxides as Inhibitors of Platelet Aggregation. 1. Synthesis and Pharmacological Evaluation

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