Differential Interactions of Flavonoids with the Aryl Hydrocarbon Receptor In Silico and Their Impact on Receptor Activity In Vitro.

Autor: Santana MR; Laboratory of Neurochemistry and Cellular Biology, Institute of Health Sciences, Federal University of Bahia, Salvador 40231-300, Brazil., Santos YBD; Molecular Modeling Laboratory, Department of Health, State University of Feira de Santana, Feira de Santana 44036-900, Brazil., Santos KS; Molecular Modeling Laboratory, Department of Health, State University of Feira de Santana, Feira de Santana 44036-900, Brazil., Santos Junior MC; Molecular Modeling Laboratory, Department of Health, State University of Feira de Santana, Feira de Santana 44036-900, Brazil., Victor MM; Department of Organic Chemistry, Institute of Chemistry, Federal University of Bahia, Salvador 40231-300, Brazil., Ramos GDS; Department of Organic Chemistry, Institute of Chemistry, Federal University of Bahia, Salvador 40231-300, Brazil., Nascimento RPD; Laboratory of Neurochemistry and Cellular Biology, Institute of Health Sciences, Federal University of Bahia, Salvador 40231-300, Brazil., Costa SL; Laboratory of Neurochemistry and Cellular Biology, Institute of Health Sciences, Federal University of Bahia, Salvador 40231-300, Brazil.; National Institute of Translational Neuroscience (INNT), Rio de Janeiro 21941-902, Brazil.

Publikováno v: Pharmaceuticals (Basel, Switzerland) [Pharmaceuticals (Basel)] 2024 Jul 24; Vol. 17 (8). Date of Electronic Publication: 2024 Jul 24.

Two new dilactonized glycerol glycosides of the dual anticholinesterase active extract from Ocotea daphnifolia using bioguided fractionation and molecular docking studies.

Autor: Luz RLSA; Department of Health, State University of Feira de Santana, Feira de Santana, Brazil., Almeida RBM; Department of Health, State University of Feira de Santana, Feira de Santana, Brazil., Albuquerque MMS; Department of Biology, State University of Feira de Santana, Feira de Santana, Brazil., Cerqueira APM; Department of Health, State University of Feira de Santana, Feira de Santana, Brazil., Tavares JF; Pharmaceutical Technology Laboratory, University of Paraíba, João Pessoa, Brazil., Silva MSD; Pharmaceutical Technology Laboratory, University of Paraíba, João Pessoa, Brazil., Filho RB; Department of Chemistry, State University of North Fluminense Darcy Ribeiro, Rio de Janeiro, Brazil.; Department of Organic Chemistry, Federal Rural University of Rio de Janeiro, Seropédica, Brazil., Dos Santos Junior MC; Department of Health, State University of Feira de Santana, Feira de Santana, Brazil., Branco A; Department of Health, State University of Feira de Santana, Feira de Santana, Brazil., Botura MB; Department of Health, State University of Feira de Santana, Feira de Santana, Brazil.

Publikováno v: Chemical biology & drug design [Chem Biol Drug Des] 2023 Apr; Vol. 101 (4), pp. 855-864. Date of Electronic Publication: 2022 Dec 26.

JM-20, a Benzodiazepine-Dihydropyridine Hybrid Molecule, Inhibits the Formation of Alpha-Synuclein-Aggregated Species.

Autor: Santos CC; Laboratory of Neurochemistry and Cell Biology, Department of Biochemistry and Biophysics, Federal University of Bahia - Institute of Health Sciences, Salvador, 40110-100, Brazil., Cardim-Pires TR; Institute of Medical Biochemistry Leopoldo de Meis, Federal University of Rio de Janeiro, Rio de Janeiro, Brazil., Shvachiy L; Department of Experimental Neurodegeneration, Center for Biostructural Imaging of Neurodegeneration, University Medical Center Gottingen, Göttingen, Germany.; Faculdade de Medicina, Centro Cardiovascular da Universidade de Lisboa, Universidade de Lisboa, Av Prof Egas Moniz, 1649-028, Lisbon, Portugal., Fonseca-Fonseca LA; Centro de Investigación y Desarrollo de Medicamentos (CIDEM), La Habana, Cuba., Muñoz P; Instituto de Ciencias Biomedicas, Facultad de Ciencias de la Salud, Universidad Autónoma de Chile, Santiago, Chile., Almeida ÁMAN; Laboratory of Neurochemistry and Cell Biology, Department of Biochemistry and Biophysics, Federal University of Bahia - Institute of Health Sciences, Salvador, 40110-100, Brazil., Costa ACS; Laboratory of Neurochemistry and Cell Biology, Department of Biochemistry and Biophysics, Federal University of Bahia - Institute of Health Sciences, Salvador, 40110-100, Brazil., Teles-Souza J; Laboratory of Neurochemistry and Cell Biology, Department of Biochemistry and Biophysics, Federal University of Bahia - Institute of Health Sciences, Salvador, 40110-100, Brazil., Ochoa-Rodríguez E; Organic Synthesis Laboratory of the Faculty of Chemistry of the University of Havana, Havana, Cuba., de Fátima Dias Costa M; Laboratory of Neurochemistry and Cell Biology, Department of Biochemistry and Biophysics, Federal University of Bahia - Institute of Health Sciences, Salvador, 40110-100, Brazil., Palhano FL; Institute of Medical Biochemistry Leopoldo de Meis, Federal University of Rio de Janeiro, Rio de Janeiro, Brazil., Segura-Aguilar J; Molecular & Clinical Pharmacology, Faculty of Medicine, ICBM, University of Chile, Santiago, Chile., Barbosa DB; Laboratory of Molecular Modeling, Department of Health, State University of Feira de Santana, Feira de Santana, Brazil., do Bomfim MR; Laboratory of Molecular Modeling, Department of Health, State University of Feira de Santana, Feira de Santana, Brazil., Dos Santos Junior MC; Laboratory of Molecular Modeling, Department of Health, State University of Feira de Santana, Feira de Santana, Brazil., Leite FHA; Laboratory of Molecular Modeling, Department of Health, State University of Feira de Santana, Feira de Santana, Brazil., da Rocha Pita SS; Bioinformatics and Molecular Modeling Laboratory (LaBiMM), Federal University of Bahia - College of Pharmacy, Salvador, Brazil., Costa SL; Laboratory of Neurochemistry and Cell Biology, Department of Biochemistry and Biophysics, Federal University of Bahia - Institute of Health Sciences, Salvador, 40110-100, Brazil., Núñez-Figueredo Y; Centro de Investigación y Desarrollo de Medicamentos (CIDEM), La Habana, Cuba., Outeiro TF; Department of Experimental Neurodegeneration, Center for Biostructural Imaging of Neurodegeneration, University Medical Center Gottingen, Göttingen, Germany.; Max Planck Institute for Multidisciplinary Sciences, Goettingen, Germany.; Translational and Clinical Research Institute, Faculty of Medical Sciences, Newcastle University, Framlington Place, Newcastle Upon Tyne, NE2 4HH, UK.; Scientific Employee With an Honorary Contract at German Center for Neurodegenerative Diseases (DZNE), 37075, Göttingen, Germany., Foguel D; Institute of Medical Biochemistry Leopoldo de Meis, Federal University of Rio de Janeiro, Rio de Janeiro, Brazil., Silva VDA; Laboratory of Neurochemistry and Cell Biology, Department of Biochemistry and Biophysics, Federal University of Bahia - Institute of Health Sciences, Salvador, 40110-100, Brazil. vdsilva@ufba.br.

Publikováno v: Neurotoxicity research [Neurotox Res] 2022 Dec; Vol. 40 (6), pp. 2135-2147. Date of Electronic Publication: 2022 Aug 23.

Alkene lactones from Persea fulva (Lauraceae): Evaluation of their effects on tumor cell growth in vitro and molecular docking studies.

Autor: Reis IMA; Departamento de Saúde, Universidade Estadual de Feira de Santana, Av. Transnordestina s/n, 44036-900 Feira de Santana, BA, Brazil., Conceição RS; Departamento de Saúde, Universidade Estadual de Feira de Santana, Av. Transnordestina s/n, 44036-900 Feira de Santana, BA, Brazil., Ferreira RS; Laboratório de Neuroquímica e Biologia Celular, Instituto de Ciências da Saúde, Universidade Federal da Bahia - UFBA, Av. Reitor Miguel Calmon s/n, Vale do Canela, 41100-100 Salvador, BA, Brazil., Dos Santos CC; Laboratório de Neuroquímica e Biologia Celular, Instituto de Ciências da Saúde, Universidade Federal da Bahia - UFBA, Av. Reitor Miguel Calmon s/n, Vale do Canela, 41100-100 Salvador, BA, Brazil., da Silva GR; Programa de Pós-Graduação em Desenvolvimento e Inovação Tecnológica em Medicamentos, Departamento de Ciências Molecular, Universidade Federal Rural de Pernambuco, Campus Dois Irmãos, 52171-900 Recife, PE, Brazil., de Mattos Oliveira L; Departamento de Saúde, Universidade Estadual de Feira de Santana, Av. Transnordestina s/n, 44036-900 Feira de Santana, BA, Brazil., Cassiano DSA; Departamento de Saúde, Universidade Estadual de Feira de Santana, Av. Transnordestina s/n, 44036-900 Feira de Santana, BA, Brazil., Dos Santos Junior MC; Departamento de Saúde, Universidade Estadual de Feira de Santana, Av. Transnordestina s/n, 44036-900 Feira de Santana, BA, Brazil., Botura MB; Departamento de Saúde, Universidade Estadual de Feira de Santana, Av. Transnordestina s/n, 44036-900 Feira de Santana, BA, Brazil., da Silva VDA; Laboratório de Neuroquímica e Biologia Celular, Instituto de Ciências da Saúde, Universidade Federal da Bahia - UFBA, Av. Reitor Miguel Calmon s/n, Vale do Canela, 41100-100 Salvador, BA, Brazil., Costa SL; Laboratório de Neuroquímica e Biologia Celular, Instituto de Ciências da Saúde, Universidade Federal da Bahia - UFBA, Av. Reitor Miguel Calmon s/n, Vale do Canela, 41100-100 Salvador, BA, Brazil., da Silva TMS; Programa de Pós-Graduação em Desenvolvimento e Inovação Tecnológica em Medicamentos, Departamento de Ciências Molecular, Universidade Federal Rural de Pernambuco, Campus Dois Irmãos, 52171-900 Recife, PE, Brazil., Vieira IJC; Laboratório de Ciências Químicas, Centro de Ciências e Tecnologia, Universidade Estadual do Norte Fluminense-Darcy Ribeiro, Av. Alberto Lamego, 2000-Parque Califórnia, 28013-602 Campos dos Goytacazes, RJ, Brazil., Braz-Filho R; PVE-FAPERJ/DEQUIM-ICE-Universidade Federal Rural do Rio de Janeiro (UFRRJ), CP 74541, 23894-374 Seropédica, RJ, Brazil; LCQUI-CCT-Universidade Estadual do Norte Fluminense Darcy Ribeiro, 28013-600 Campos dos Goytacazes, RJ, Brazil., Branco A; Departamento de Saúde, Universidade Estadual de Feira de Santana, Av. Transnordestina s/n, 44036-900 Feira de Santana, BA, Brazil. Electronic address: branco@uefs.br.

Publikováno v: Bioorganic chemistry [Bioorg Chem] 2019 May; Vol. 86, pp. 665-673. Date of Electronic Publication: 2019 Feb 14.

Identification of new promising Plasmodium falciparum superoxide dismutase allosteric inhibitors through hierarchical pharmacophore-based virtual screening and molecular dynamics.

Autor: Araujo JSC; Programa de pós-graduação em Ciências Farmacêuticas, Universidade Estadual de Feira de Santana, Bahia, Brazil., de Souza BC; Programa de pós-graduação em Biotecnologia, Universidade Estadual de Feira de Santana, Bahia, Brazil., Costa Junior DB; Programa de pós-graduação em Ciências Farmacêuticas, Universidade Estadual de Feira de Santana, Bahia, Brazil., Oliveira LM; Programa de pós-graduação em Ciências Farmacêuticas, Universidade Estadual de Feira de Santana, Bahia, Brazil., Santana IB; Programa de pós-graduação em Biotecnologia, Universidade Estadual de Feira de Santana, Bahia, Brazil., Duarte AA; Programa de pós-graduação em Computação Aplicada, Universidade Estadual de Feira de Santana, Bahia, Brazil., Lacerda PS; Serviço Social da Indústria, Bahia, Brazil., Dos Santos Junior MC; Programa de pós-graduação em Ciências Farmacêuticas, Universidade Estadual de Feira de Santana, Bahia, Brazil.; Programa de pós-graduação em Biotecnologia, Universidade Estadual de Feira de Santana, Bahia, Brazil., Leite FHA; Programa de pós-graduação em Ciências Farmacêuticas, Universidade Estadual de Feira de Santana, Bahia, Brazil. fhenrique@uefs.br.; Programa de pós-graduação em Biotecnologia, Universidade Estadual de Feira de Santana, Bahia, Brazil. fhenrique@uefs.br.

Publikováno v: Journal of molecular modeling [J Mol Model] 2018 Jul 28; Vol. 24 (8), pp. 220. Date of Electronic Publication: 2018 Jul 28.