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A comparative theoretical mechanism on simplified flavonoid derivatives and isoxazolone analogous as Michael system inhibitor.
J Mol Model. 2021 Jan 7;27(2):26. doi: 10.1007/s00894-020-04647-3.
J Mol Model. 2021.
PMID: 33410998
Essential features for antioxidant capacity of ascorbic acid (vitamin C).
Santos KLB, Bragança VAN, Pacheco LV, Ota SSB, Aguiar CPO, Borges RS.
Santos KLB, et al.
J Mol Model. 2021 Dec 3;28(1):1. doi: 10.1007/s00894-021-04994-9.
J Mol Model. 2021.
PMID: 34862566
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Revisiting the Proposition of Binding Pockets and Bioactive Poses for GSK-3β Allosteric Modulators Addressed to Neurodegenerative Diseases.
Silva GM, Borges RS, Santos KLB, Federico LB, Francischini IAG, Gomes SQ, Barcelos MP, Silva RC, Santos CBR, Silva CHTP.
Silva GM, et al. Among authors: santos klb.
Int J Mol Sci. 2021 Jul 31;22(15):8252. doi: 10.3390/ijms22158252.
Int J Mol Sci. 2021.
PMID: 34361017
Free PMC article.
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Experimental and theoretical study on structure-tautomerism among edaravone, isoxazolone, and their heterocycles derivatives as antioxidants.
Queiroz AN, Martins CC, Santos KLB, Carvalho ES, Owiti AO, Oliveira KRM, Herculano AM, da Silva ABF, Borges RS.
Queiroz AN, et al. Among authors: santos klb.
Saudi Pharm J. 2020 Jul;28(7):819-827. doi: 10.1016/j.jsps.2020.06.001. Epub 2020 Jun 12.
Saudi Pharm J. 2020.
PMID: 32647483
Free PMC article.
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Molecular modeling approaches of selective adenosine receptor type 2A agonists as potential anti-inflammatory drugs.
Santos CBR, Santos KLB, Cruz JN, Leite FHA, Borges RS, Taft CA, Campos JM, Silva CHTP.
Santos CBR, et al. Among authors: santos klb.
J Biomol Struct Dyn. 2021 Jun;39(9):3115-3127. doi: 10.1080/07391102.2020.1761878. Epub 2020 May 6.
J Biomol Struct Dyn. 2021.
PMID: 32338151
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Identification of Novel Chemical Entities for Adenosine Receptor Type 2A Using Molecular Modeling Approaches.
Santos KLBD, Cruz JN, Silva LB, Ramos RS, Neto MFA, Lobato CC, Ota SSB, Leite FHA, Borges RS, Silva CHTPD, Campos JM, Santos CBR.
Santos KLBD, et al.
Molecules. 2020 Mar 10;25(5):1245. doi: 10.3390/molecules25051245.
Molecules. 2020.
PMID: 32164183
Free PMC article.
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An Antioxidant Potential, Quantum-Chemical and Molecular Docking Study of the Major Chemical Constituents Present in the Leaves of Curatella americana Linn.
Teles Fujishima MA, Silva NDSRD, Ramos RDS, Batista Ferreira EF, Santos KLBD, Silva CHTPD, Silva JOD, Campos Rosa JM, Santos CBRD.
Teles Fujishima MA, et al. Among authors: santos klbd.
Pharmaceuticals (Basel). 2018 Jul 20;11(3):72. doi: 10.3390/ph11030072.
Pharmaceuticals (Basel). 2018.
PMID: 30036950
Free PMC article.
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