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Virtual screening, ADME/Tox predictions and the drug repurposing concept for future use of old drugs against the COVID-19.
Life Sci. 2020 Sep 1;256:117963. doi: 10.1016/j.lfs.2020.117963. Epub 2020 Jun 11.
Life Sci. 2020.
PMID: 32535080
Free PMC article.
Potential colchicine binding site inhibitors unraveled by virtual screening, molecular dynamics and MM/PBSA.
Federico LB, Silva GM, Gomes SQ, Francischini IAG, Barcelos MP, Dos Santos CBR, Costa LT, Campos Rosa JM, de Paula da Silva CHT.
Federico LB, et al. Among authors: francischini iag.
Comput Biol Med. 2021 Oct;137:104817. doi: 10.1016/j.compbiomed.2021.104817. Epub 2021 Aug 28.
Comput Biol Med. 2021.
PMID: 34488030
Free article.
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In silico Study of Acetylcholinesterase and Beta-secretase Inhibitors: Potential Multitarget Anti-Alzheimer's Agents.
da Costa DC, Teixeira HRC, Silva RC, Francischini IAG, de Paula da Silva CHT, da Silva Hage-Melim LI.
da Costa DC, et al. Among authors: francischini iag.
Cent Nerv Syst Agents Med Chem. 2022;22(2):139-150. doi: 10.2174/1871524922666220517110606.
Cent Nerv Syst Agents Med Chem. 2022.
PMID: 36104859
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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: francischini iag.
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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