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ACKNOWLEDGEMENTS
We acknowledge financial support from CNPq and FAPESP.
CONFLICT OF INTEREST
The authors confirm that this chapter contents have no conflict of interest.
REFERENCES
[1] Friedman HL. Influence of isosteric replacements upon biological activity . Symposium on
Chemical-Biological Correlation.National Research Council Publication, Washington,
EUA,1951, n 206, p. 295.
[2] Langmuir I. Isomorphism, isosterism and covalence. Journal of the American Chemical
Society , 1959 , 41: 1543-1559.
[3] Langdon SR, Ertl P, Brown N. Bioisosteric replacements and scaffold hopping in lead
generation and optimization. Molecular Informatics , 2010, 29: 366-385.
[4] Lima LM, Barreiro EJ. Bioisosterism: a useful strategy for molecular modification and drug
design. Current Medicinal Chemistry , 2005, 12: 23-49.
[5] Devereux M, Popelier PLA. In silico techniques for the identification of bioisosteric
replacements for drug design. Current Topics in Medicinal Chemistry, 2010, 10:657-668.
[6] Bhatia R, SharmaV, Shrivastava, Singla RK. A review on bioisosterism: a rational
approach for drug design and molecular modification. Pharmacologyonline , 2011,1:272-
299, 2011.
[7] Meanwell NA. Synopsis of some recent tactical applications of bioisosters in drug design.
Journal of Medicinal Chemistry , 2011, 54: 2529-2591.
[8] Devereux M, Popelier PLA, Mclay IM. Quantum isosteredatabase : a web-based tool using
quantum chemical topology to predict bioisosteric replacements for drug design. Journal of
Chemical Information and Modeling, 2009, 49:1497-1513.
[9] Wagener M, Lommerse JPM. The quest for bioisosteric replacements. Journal of Chemical
Information and Modeling , 2006, 46:677-685.
[10] Patani GA, Lavoie EJ. Bioisosterism: A Rational Approach in Drug Design. Chemical
Reviews, 1996, 96:3147-3176.
[11] Krier M, Hutter MC. Bioisosteric Similarity of Molecules Based on Structural Alignment
and Observed Chemical Replacements in Drugs. Journal of Chemical Information and
Modeling, 2009, 49:1280-1297.
[12] Birchall K, Gillet VJ, Willett P. Use of Reduced Graphs To Encode Bioisosterism for
Similarity-Based Virtual Screening. Journal of Chemical Information and Modeling, 2009,
49: 1330-1346.
[13] BROOD. Fragment replacement for Medicinal Chemistry. version 1.1.2. Santa Fe, New
Mexico: OpenEye Scientific Software, 2009.
[14] Ertl P. Cheminformatics analysis of organic substituents: identification of the most
common substituents, calculation of substituent properties, and automatic identification of
 
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