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Docking of the alkaloid geissospermine into acetylcholinesterase: a natural scaffold targeting the treatment of Alzheimer's disease.
J Mol Model. 2011 Jun;17(6):1401-12. doi: 10.1007/s00894-010-0841-2. Epub 2010 Sep 16.
J Mol Model. 2011.
PMID: 20844909
Receptor-dependent (RD) 3D-QSAR approach of a series of benzylpiperidine inhibitors of human acetylcholinesterase (HuAChE).
Araújo JQ, de Brito MA, Hoelz LV, de Alencastro RB, Castro HC, Rodrigues CR, Albuquerque MG.
Araújo JQ, et al.
Eur J Med Chem. 2011 Jan;46(1):39-51. doi: 10.1016/j.ejmech.2010.10.009. Epub 2010 Oct 15.
Eur J Med Chem. 2011.
PMID: 21074294
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CoMFA/CoMSIA 3D-QSAR of pyrimidine inhibitors of Pneumocystis carinii dihydrofolate reductase.
Santos-Filho OA, Forge D, Hoelz LV, de Freitas GB, Marinho TO, Araújo JQ, Albuquerque MG, de Alencastro RB, Boechat N.
Santos-Filho OA, et al. Among authors: araujo jq.
J Mol Model. 2012 Sep;18(9):4061-72. doi: 10.1007/s00894-012-1399-y. Epub 2012 Apr 14.
J Mol Model. 2012.
PMID: 22527273
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Residue-ligand interaction energy (ReLIE) on a receptor-dependent 3D-QSAR analysis of S- and NH-DABOs as non-nucleoside reverse transcriptase inhibitors.
de Brito MA, Rodrigues CR, Cirino JJ, Araújo JQ, Honório T, Cabral LM, de Alencastro RB, Castro HC, Albuquerque MG.
de Brito MA, et al. Among authors: araujo jq.
Molecules. 2012 Jun 25;17(7):7666-94. doi: 10.3390/molecules17077666.
Molecules. 2012.
PMID: 22732882
Free PMC article.
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Interaction between artemisinin and heme. A Density Functional Theory study of structures and interaction energies.
Araújo JQ, Carneiro JW, de Araujo MT, Leite FH, Taranto AG.
Araújo JQ, et al.
Bioorg Med Chem. 2008 May 1;16(9):5021-9. doi: 10.1016/j.bmc.2008.03.033. Epub 2008 Mar 16.
Bioorg Med Chem. 2008.
PMID: 18375130
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