المؤلفون: Fernanda Diniz Botelho, Roberta Siqueira Soldaini de Oliveira, Joyce S. F. D. de Almeida, Tanos C. C. França, Itamar Borges Jr.

المصدر: Química Nova, Vol 44, Iss 2, Pp 161-171 (2021)

مصطلحات موضوعية: Chemistry, QD1-999

وصف الملف: electronic resource

Relation: http://www.scielo.br/pdf/qn/v44n2/0100-4042-qn-44-02-0161.pdf; http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422021000200161&tlng=pt; https://doaj.org/toc/1678-7064

URL الوصول: https://doaj.org/article/7eff046eede94285904ce22c3ab7c0bd

المؤلفون: Daniel A. S. Kitagawa, Rafael B. Rodrigues, Thiago N. Silva, Wellington V. dos Santos, Vinicius C. V. da Rocha, Joyce S. F. D. de Almeida, Leandro B. Bernardo, Taynara Carvalho-Silva, Cintia N. Ferreira, Angelo A. T. da Silva, Alessandro B. C. Simas, Eugenie Nepovimova, Kamil Kuča, Tanos C. C. França, Samir F. de A. Cavalcante

المصدر: Journal of Enzyme Inhibition and Medicinal Chemistry, Vol 36, Iss 1, Pp 1369-1376 (2021)

مصطلحات موضوعية: isatin, pyridine oximes, organophosphorus poisoning, cholinesterase reactivators, nerve agents, antidotes, Therapeutics. Pharmacology, RM1-950

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1475-6366; https://doaj.org/toc/1475-6374

URL الوصول: https://doaj.org/article/64caf545eedf4c7299e2546a21467177

المؤلفون: Fernanda D. Botelho, Marcelo C. dos Santos, Arlan da S. Gonçalves, Kamil Kuca, Martin Valis, Steven R. LaPlante, Tanos C. C. França, Joyce S. F. D. de Almeida

المصدر: Toxins, Vol 12, Iss 12, p 746 (2020)

مصطلحات موضوعية: ricin, ricin inhibitors, molecular dynamics, ligand-based virtual screening, chemical/biological warfare agents, Medicine

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2072-6651/12/12/746; https://doaj.org/toc/2072-6651

URL الوصول: https://doaj.org/article/e02b97d00108497e9dff1fdbc46e04d0

المؤلفون: Monique Cardozo, Joyce S. F. D. de Almeida, Samir F. de A. Cavalcante, Jacqueline R. S. Salgado, Arlan S. Gonçalves, Tanos C. C. França, Kamil Kuca, Humberto R. Bizzo

المصدر: Molecules, Vol 25, Iss 1, p 58 (2019)

مصطلحات موضوعية: bioremediation, phosphotriesterase, organophosphorus compounds, molecular modeling, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1420-3049/25/1/58; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/6f76bd7b546e4475bb64e702b6cbaf9f

المؤلفون: Daniel A. S. Kitagawa, Samir F. de A. Cavalcante, Reuel L. de Paula, Rafael B. Rodrigues, Leandro B. Bernardo, Munique C. J. da Silva, Thiago N. da Silva, Wellington V. dos Santos, José M. Granjeiro, Joyce S. F. D. de Almeida, Marcos C. Barcellos, Ana Beatriz de A. Correa, Tanos C. C. França, Kamil Kuča, Alessandro B. C. Simas

المصدر: Biomolecules, Vol 9, Iss 10, p 583 (2019)

مصطلحات موضوعية: acetylcholinesterase, pesticides, neutral oximes, antidotes, drug design, Microbiology, QR1-502

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2218-273X/9/10/583; https://doaj.org/toc/2218-273X

URL الوصول: https://doaj.org/article/04b576b9b7084a1d8cfbf4f2aca184c0

المؤلفون: Reuel L. de Paula, Joyce S. F. D. de Almeida, Samir F. A. Cavalcante, Arlan S. Gonçalves, Alessandro B. C. Simas, Tanos C. C. Franca, Martin Valis, Kamil Kuca, Eugenie Nepovimova, José M. Granjeiro

المصدر: Molecules, Vol 23, Iss 11, p 2954 (2018)

مصطلحات موضوعية: acetylcholinesterase, neutral oxime, molecular modeling, multicriteria decision making, TOPSIS-AHP, Ellman’s method, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1420-3049/23/11/2954; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/32a4eb8b5b844ae982c3efbd9cc00914

المؤلفون: Joyce S. F. D. de Almeida, Rafael Dolezal, Ondrej Krejcar, Kamil Kuca, Kamil Musilek, Daniel Jun, Tanos C. C. França

المصدر: Toxins, Vol 10, Iss 10, p 389 (2018)

مصطلحات موضوعية: aflatoxin B1, metabolites, acetylcholinesterase, catalytic anionic site, Medicine

وصف الملف: electronic resource

Relation: http://www.mdpi.com/2072-6651/10/10/389; https://doaj.org/toc/2072-6651

URL الوصول: https://doaj.org/article/b7bd95843dd3426f979116d5ad0d9b37

المؤلفون: Joyce S. F. D. de Almeida, Tanos C. C. França, Fernanda D. Botelho, Marcelo C. dos Santos, Arlan da Silva Gonçalves, Steven R. LaPlante

المصدر: Journal of biomolecular structuredynamics. 40(12)

مصطلحات موضوعية: Virtual screening, Chemistry, Protein subunit, Adipates, Cell, Antidotes, Drug Repositioning, Succinates, General Medicine, Ricin, Ribosomal RNA, Molecular Dynamics Simulation, Molecular Docking Simulation, Drug repositioning, Molecular dynamics, chemistry.chemical_compound, medicine.anatomical_structure, Biochemistry, Structural Biology, medicine, Protein biosynthesis, Molecular Biology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6760b57a0de9bf8435ee83cae9675646
https://pubmed.ncbi.nlm.nih.gov/33410376

المؤلفون: Marcelo C. dos Santos, Martin Vališ, Tanos C. C. França, Steven R. LaPlante, Fernanda D. Botelho, Arlan da Silva Gonçalves, Joyce S. F. D. de Almeida, Kamil Kuca

المصدر: Toxins
Toxins, Vol 12, Iss 746, p 746 (2020)
Volume 12
Issue 12

مصطلحات موضوعية: ligand-based virtual screening, Health, Toxicology and Mutagenesis, 030303 biophysics, Molecular Conformation, lcsh:Medicine, Ricin, Molecular Dynamics Simulation, Toxicology, Ligands, Molecular mechanics, Article, 03 medical and health sciences, Molecular dynamics, chemistry.chemical_compound, Drug Discovery, Molecule, Chemical Warfare Agents, 030304 developmental biology, 0303 health sciences, Virtual screening, ricin inhibitors, Binding Sites, Molecular Structure, Chemistry, lcsh:R, Hydrogen Bonding, Combinatorial chemistry, molecular dynamics, Molecular Docking Simulation, chemical/biological warfare agents, Docking (molecular), PubChem, Algorithms

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9a6ba20ac0717a0646e320652e104191
http://europepmc.org/articles/PMC7761309

المؤلفون: Denise Cristian Ferreira Neto, Tanos C. C. França, José Daniel Figueroa-Villar, Joyce S. F. D. de Almeida, Priscila Ivo Rubim de Santana, Arlan da Silva Gonçalves

المصدر: Journal of biomolecular structuredynamics. 39(15)

مصطلحات موضوعية: Models, Molecular, Magnetic Resonance Spectroscopy, Molecular model, Structural Biology, Chemistry, Antineoplastic Agents, Benzopyrans, General Medicine, Molecular Biology, Combinatorial chemistry, Density Functional Theory

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::64ab37d5d89bdc316496dbe41b9182a4
https://pubmed.ncbi.nlm.nih.gov/32657645

المؤلفون: Tanos C. C. França, José Daniel Figueroa-Villar, Joyce S. F. D. de Almeida, Mariana de Oliveira Tonelli Nogueira

المصدر: Journal of biomolecular structuredynamics. 39(14)

مصطلحات موضوعية: 0303 health sciences, Magnetic Resonance Spectroscopy, Molecular model, Chemistry, 030303 biophysics, Antineoplastic Agents, General Medicine, Computational biology, DNA, Molecular Docking Simulation, 03 medical and health sciences, Structural Biology, Docking (molecular), Molecular Biology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d6e06e6bdb49f46f4bce982eb12c32d3
https://pubmed.ncbi.nlm.nih.gov/32597332

المؤلفون: Tanos C. C. França, Josélia A. Lima, Claudia Jorge do Nascimento, Joyce S. F. D. de Almeida, Denise Cristian Ferreira Neto, José Daniel Figueroa Villar

المصدر: Journal of Biomolecular Structure and Dynamics. 36:4099-4113

مصطلحات موضوعية: 0301 basic medicine, Molecular model, Aché, Stereochemistry, In silico, Gene Expression, Molecular Dynamics Simulation, Ligands, Protein Structure, Secondary, 03 medical and health sciences, chemistry.chemical_compound, 0302 clinical medicine, Alzheimer Disease, Structural Biology, Catalytic Domain, medicine, Humans, Protein Interaction Domains and Motifs, Binding site, Molecular Biology, Nootropic Agents, Enzyme Assays, Semicarbazones, Chemistry, Hydrogen Bonding, General Medicine, Acetylcholinesterase, language.human_language, In vitro, Molecular Docking Simulation, Kinetics, 030104 developmental biology, Docking (molecular), Drug Design, Tacrine, language, Thermodynamics, 030217 neurology & neurosurgery, Protein Binding, medicine.drug

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b22624c6f3d1033c5fafb594ec8e4d20
https://doi.org/10.1080/07391102.2017.1407676

المؤلفون: Joyce S. F. D. de Almeida, Jiří Patočka

المصدر: Military Medical Science Letters. 86:32-41

مصطلحات موضوعية: 0301 basic medicine, Emergency Medical Services, Veterinary (miscellaneous), Public Health, Environmental and Occupational Health, Forestry, BRAZILIAN PEPPER, Biology, 03 medical and health sciences, Tree (data structure), 030104 developmental biology, 0302 clinical medicine, Immunology and Microbiology (miscellaneous), 030220 oncology & carcinogenesis, Emergency Medicine, Pharmacology, Toxicology and Pharmaceutics (miscellaneous)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::ca681d66775d92d5e4ad7cff4499f537
https://doi.org/10.31482/mmsl.2017.005

المؤلفون: José Mauro Granjeiro, Alessandro B. C. Simas, Ana Beatriz de A. Correa, Joyce S. F. D. de Almeida, Munique C J da Silva, Daniel A. S. Kitagawa, Thiago N. da Silva, Rafael B. Rodrigues, Reuel L. de Paula, Tanos C. C. França, Wellington V Dos Santos, Kamil Kuca, Samir F. de A. Cavalcante, Marcos C Barcellos, Leandro B. Bernardo

المصدر: Biomolecules, Vol 9, Iss 10, p 583 (2019)
Biomolecules
Volume 9
Issue 10

مصطلحات موضوعية: Fish Proteins, drug design, lcsh:QR1-502, Pharmacology, In Vitro Techniques, Biochemistry, Article, Paraoxon, lcsh:Microbiology, 03 medical and health sciences, chemistry.chemical_compound, Structure-Activity Relationship, 0302 clinical medicine, Enzyme Reactivators, Oximes, medicine, Animals, Enzyme Reactivation, Molecular Biology, 030304 developmental biology, Nerve agent, 0303 health sciences, Molecular Structure, Chemistry, acetylcholinesterase, pesticides, Acetylcholinesterase, In vitro, 030220 oncology & carcinogenesis, Electrophorus, antidotes, Organophosphorus pesticides, neutral oximes, Healthcare system, medicine.drug

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::90802c58da67856667153b8b2de11845
https://www.mdpi.com/2218-273X/9/10/583

المؤلفون: Josélia A. Lima, Denise Cristian Ferreira Neto, Kamil Kuca, Juliana de Oliveira Carneiro Brum, Tanos C. C. França, José Daniel Figueroa-Villar, Joyce S. F. D. de Almeida

المصدر: International Journal of Molecular Sciences
International Journal of Molecular Sciences, Vol 20, Iss 16, p 3944 (2019)
Volume 20
Issue 16

مصطلحات موضوعية: quinolines, Magnetic Resonance Spectroscopy, Aché, Chemistry Techniques, Synthetic, Molecular Dynamics Simulation, guanil-hydrazones, Inhibitory postsynaptic potential, 01 natural sciences, Catalysis, Article, Inorganic Chemistry, lcsh:Chemistry, chemistry.chemical_compound, Structure-Activity Relationship, Pharmacokinetics, Alzheimer Disease, Humans, Benzodioxoles, Physical and Theoretical Chemistry, Molecular Biology, lcsh:QH301-705.5, Spectroscopy, chemistry.chemical_classification, Molecular Structure, 010405 organic chemistry, Organic Chemistry, Quinoline, piperonal, General Medicine, acetylcholinesterase, Acetylcholinesterase, language.human_language, 0104 chemical sciences, Computer Science Applications, Molecular Docking Simulation, 010404 medicinal & biomolecular chemistry, Piperonal, Kinetics, Enzyme, chemistry, Biochemistry, lcsh:Biology (General), lcsh:QD1-999, Docking (molecular), Benzaldehydes, language, Cholinesterase Inhibitors, Alzheimer’s disease

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0e35573cea57a265f70dc1d944ca4d77
https://pubmed.ncbi.nlm.nih.gov/31416113

المؤلفون: Tanos C. C. França, Raphael S. F. Silva, Joyce S. F. D. de Almeida

المصدر: Journal of Molecular Structure. 1237:130404

مصطلحات موضوعية: biology, ATP synthase, 010405 organic chemistry, Chemistry, In silico, Organic Chemistry, Active site, Plasmodium falciparum, 010402 general chemistry, biology.organism_classification, 01 natural sciences, 0104 chemical sciences, Analytical Chemistry, Semi synthetic, Inorganic Chemistry, Pyrimethamine, Biochemistry, parasitic diseases, Dihydrofolate reductase, biology.protein, medicine, Phosphofructokinase 2, Spectroscopy, medicine.drug

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::53f2699b9022d7a20857694811f0ae07
https://doi.org/10.1016/j.molstruc.2021.130404

المؤلفون: Tanos C. C. França, Kamil Musilek, Joyce S. F. D. de Almeida, Rafael Dolezal, Daniel Jun, Samir F. de A. Cavalcante, Kamil Kuca

المصدر: Chemico-biological interactions. 308

مصطلحات موضوعية: 0301 basic medicine, Aflatoxin, Aflatoxin B1, Surface Properties, Metabolite, Molecular Dynamics Simulation, Toxicology, 03 medical and health sciences, chemistry.chemical_compound, 0302 clinical medicine, Catalytic Domain, Humans, Mycotoxin, Butyrylcholinesterase, chemistry.chemical_classification, Binding Sites, In vitro toxicology, General Medicine, Acetylcholinesterase, In vitro, 030104 developmental biology, Enzyme, Aspergillus, chemistry, Biochemistry, 030220 oncology & carcinogenesis, Aflatoxin M1, Thermodynamics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4eadc15cd090abd54e3c7ffc5a16e097
https://pubmed.ncbi.nlm.nih.gov/31100275

المؤلفون: Samir F. de A. Cavalcante, Joyce S. F. D. de Almeida, Daniel Jun, Kamil Kuca, Kamil Musilek, Tanos C. C. França, Rafael Dolezal

المصدر: Journal of biomolecular structuredynamics. 37(8)

مصطلحات موضوعية: 0301 basic medicine, Anions, Models, Molecular, Aflatoxin, Chemical Warfare Agents, Aflatoxin B1, Molecular model, Aspergillus flavus, Molecular Dynamics Simulation, Ligands, 01 natural sciences, 03 medical and health sciences, chemistry.chemical_compound, Structural Biology, Humans, heterocyclic compounds, skin and connective tissue diseases, Molecular Biology, Carcinogen, biology, 010401 analytical chemistry, technology, industry, and agriculture, food and beverages, Hydrogen Bonding, General Medicine, biology.organism_classification, Acetylcholinesterase, biological factors, 0104 chemical sciences, Molecular Docking Simulation, 030104 developmental biology, chemistry, Biochemistry, Metabolome, Thermodynamics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::460cd433f3a6013ff548ffbb34317136
https://pubmed.ncbi.nlm.nih.gov/29749305

المؤلفون: Ondrej Soukup, Joyce S. F. D. de Almeida, Rafael Dolezal, Tanos C. C. França, Kamil Kuca, Marketa Benkova, David Malinak, Roman Prymula, Jan Honegr

المصدر: Molecules : A Journal of Synthetic Chemistry and Natural Product Chemistry
Molecules; Volume 23; Issue 1; Pages: 102

مصطلحات موضوعية: 0301 basic medicine, Tryptamine, PRR, Pharmaceutical Science, Ligands, 01 natural sciences, Analytical Chemistry, chemistry.chemical_compound, Drug Discovery, TLR4, innate immunity, virtual screening, molecular dynamics, adjuvants, Vaccines, Ligand (biochemistry), Tryptamines, Molecular Docking Simulation, Chemistry (miscellaneous), Molecular Medicine, High-throughput screening, In silico, Computational biology, CHO Cells, Molecular Dynamics Simulation, Article, 03 medical and health sciences, Inhibitory Concentration 50, Structure-Activity Relationship, Cricetulus, Adjuvants, Immunologic, Animals, Humans, Computer Simulation, Physical and Theoretical Chemistry, Binding site, Virtual screening, Binding Sites, 010405 organic chemistry, Interleukin-6, Organic Chemistry, Rational design, Surface Plasmon Resonance, In vitro, 0104 chemical sciences, High-Throughput Screening Assays, Toll-Like Receptor 4, 030104 developmental biology, chemistry

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c9e69b40c75d2ace29bfb15294b4a9ff
http://europepmc.org/articles/PMC6017214

المؤلفون: Joyce S. F. D. de Almeida, Ana Beatriz de A. Correa, Alessandro B. C. Simas, Wellington V Dos Santos, Samir F. de A. Cavalcante, Thiago N. da Silva, Leandro B. Bernardo, Tanos C. C. França, Rafael B. Rodrigues, Kamil Kuca, Daniel A. S. Kitagawa

المصدر: Chemico-Biological Interactions. 309:108682

مصطلحات موضوعية: 0301 basic medicine, Cholinesterase Reactivators, Pyrrolidines, Antidotes, Central nervous system, Pharmacology, Toxicology, Structure-Activity Relationship, 03 medical and health sciences, chemistry.chemical_compound, 0302 clinical medicine, Oximes, medicine, Animals, Enzyme Reactivation, Nerve agent, Eels, Chemistry, Organothiophosphorus Compounds, General Medicine, Penetration (firestop), Acetylcholinesterase, In vitro, 030104 developmental biology, medicine.anatomical_structure, 030220 oncology & carcinogenesis, Electrophorus, Cholinesterase Inhibitors, Pyridinium, medicine.drug

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d768331c82a5d43b8db467912c1a7d40
https://doi.org/10.1016/j.cbi.2019.05.048