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with CDK2 surfaces. We have proposed novel potential CDK2 inhibitors as well
as molecular modifications of known inhibitors and evaluated them with respect
to pharmacodynamic and pharmacokinetic-toxicity properties [37].
ACKOWLEDGEMENTS
We acknowledge financial support from CNPQ, FAPERJ, FAPESP.
CONFLICTS OF INTEREST
The author confirms that this chatper contents have no conflict of itnerest.
REFERENCES
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Martins JBL, Perez MA, Silva CHTP, Taft CA, Arissawa M, Longo E, Mello PC, Stamato
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Quantum Chemistry. 2002, 90:575-586.
[2]
Arissawa M, Taft CA, Felcman J. Investigation of nucleoside analogs with anti-HIV
activity. International Journal of quantum chemistry 2003, 93:422-432.
[3]
Silva CHTP and Taft CA. Computer-aided molecular design of novel glucosidase inhibitors
for AIDS treatment. Journal of biomolecular structure and dynamics. 2004, 22:59-63.
[4]
Silva CHTP, Sanches SM and Taft CA. A molecular modeling and QSAR study of
suppressors of the growth of Trypanasoma cruzi espimastigotes. J. Mol. Graph and
Modeling 2004, 3:89-97.
[5]
Silva CHTP, Almeida P, Taft CA. Density functional and docking studies of retinoids for
cancer treatment. J. Mol. Model 2004,10:38-43.
[6]
Silva CHTP and Taft CA. Molecular dynamics, database screening, density functional and
docking studies of novel RAR ligands in cancer chemotherapy 2005, 117:73-77.
[7]
Silva CHTP, Del Ponte G, Neto AF, Taft CA. Rational design of novel diketoacid-
containing ferrocene inhibitors of HIV-1 integrase. Bioorganic Chemistry. 2005,33:274-
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[8]
Silva CHTP, Leopoldino AM, Silva EHT, Espinoza VAA and Taft CA. Computer-aided
design of a novel ligand for retinoic acid receptor in cancer chemotherapy. Int. J. of
Quantum. Chem. 2005, 102:1131-1135.
[9]
Silva CHTP, Carvalho I and Taft CA. Homology modeling and molecular interaction Field
studies of α-glucosidases as a guide to structure-based design of novel proposed anti-HIV
inhibitors. J. of Computer-Aided Molecular Design. 2005, 1983-92.
[10]
Silva CHTP and Taft CA. ADMET properties, database screening, Molecular dynamics,
density functional and docking studies of novel potential anti-cancer compounds. J. of
Biomolecular structure & dynamics.2006;24,263-268.
[11]
Modern biotechnology in medicinal chemistry and industry; 2006; Editor: Carlton A. Taft,
Research Signpost, Kerala, India.
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