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4D-QSAR: Perspectives in Drug Design
Laboratory of Molecular Modeling, Faculty of Pharmacy, Federal University of Goiás, 1ª Av. c/ Praça Universitária, S/N., Goiânia, Goiás, 74605-220, Brazil
College of Pharmacy, MSC09 5360, 1 University of New Mexico, Albuquerque, New Mexico 87131-0001, USA
Faculty of Pharmaceutical Sciences, Av. Prof. Lineu Prestes, 580, University of Sao Paulo, Sao Paulo, 05508-900, Brazil
The Chem21 Group, Inc., 17870 Wilson Drive. Lake Forest, IL 60045, USA
* Author to whom correspondence should be addressed.
Received: 1 March 2010; in revised form: 30 March 2010 / Accepted: 6 April 2010 / Published: 4 May 2010
Abstract: Drug design is a process driven by innovation and technological breakthroughs involving a combination of advanced experimental and computational methods. A broad variety of medicinal chemistry approaches can be used for the identification of hits, generation of leads, as well as to accelerate the optimization of leads into drug candidates. The quantitative structure–activity relationship (QSAR) formalisms are among the most important strategies that can be applied for the successful design new molecules. This review provides a comprehensive review on the evolution and current status of 4D-QSAR, highlighting present challenges and new opportunities in drug design.
Keywords: QSAR; 4D-QSAR; Structure-based QSAR; Drug Design
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MDPI and ACS Style
Andrade, C.H.; Pasqualoto, K.F.M.; Ferreira, E.I.; Hopfinger, A.J. 4D-QSAR: Perspectives in Drug Design. Molecules 2010, 15, 3281-3294.
Andrade CH, Pasqualoto KFM, Ferreira EI, Hopfinger AJ. 4D-QSAR: Perspectives in Drug Design. Molecules. 2010; 15(5):3281-3294.
Andrade, Carolina H.; Pasqualoto, Kerly F. M.; Ferreira, Elizabeth I.; Hopfinger, Anton J. 2010. "4D-QSAR: Perspectives in Drug Design." Molecules 15, no. 5: 3281-3294.