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Molecules. 2017 Jul 25;22(8). pii: E1210. doi: 10.3390/molecules22081210.

Chalcone Derivatives: Promising Starting Points for Drug Design.

Author information

1
Laboratory for Molecular Modeling and Drug Design, Faculty of Pharmacy, Universidade Federal de Goiás, Setor Leste Universitário, Goiânia 74605-510, Brazil. marcelo13farma@yahoo.com.br.
2
Laboratory for Molecular Modeling, Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC 27955-7568, USA. murik@email.unc.edu.
3
Laboratório de Biologia Molecular, Instituto de Ciências Biológicas, Universidade Federal de Goiás, Goiânia 74001-970, Brazil. maristelaufg@gmail.com.
4
Programa de Pós-Graduação em Sociedade, Tecnologia e Meio Ambiente, Centro Universitário de Anápolis-UniEVANGÉLICA, Anápolis 75083-515, Brazil. josana.peixoto@gmail.com.
5
Programa de Pós-Graduação em Sociedade, Tecnologia e Meio Ambiente, Centro Universitário de Anápolis-UniEVANGÉLICA, Anápolis 75083-515, Brazil. lucimar.pinheiro@yahoo.com.br.
6
Programa de Pós-Graduação em Sociedade, Tecnologia e Meio Ambiente, Centro Universitário de Anápolis-UniEVANGÉLICA, Anápolis 75083-515, Brazil. pedrovcravo@gmail.com.
7
GHTM/Instituto de Higiene e Medicina Tropical, Universidade Nova de Lisboa, 1349-008 Lisboa, Portugal. pedrovcravo@gmail.com.
8
Laboratory for Molecular Modeling and Drug Design, Faculty of Pharmacy, Universidade Federal de Goiás, Setor Leste Universitário, Goiânia 74605-510, Brazil. andradech@yahoo.com.
9
Laboratory for Molecular Modeling and Drug Design, Faculty of Pharmacy, Universidade Federal de Goiás, Setor Leste Universitário, Goiânia 74605-510, Brazil. bruno.labmol@gmail.com.
10
Laboratório de Biologia Molecular, Instituto de Ciências Biológicas, Universidade Federal de Goiás, Goiânia 74001-970, Brazil. bruno.labmol@gmail.com.
11
Programa de Pós-Graduação em Sociedade, Tecnologia e Meio Ambiente, Centro Universitário de Anápolis-UniEVANGÉLICA, Anápolis 75083-515, Brazil. bruno.labmol@gmail.com.

Abstract

Medicinal chemists continue to be fascinated by chalcone derivatives because of their simple chemistry, ease of hydrogen atom manipulation, straightforward synthesis, and a variety of promising biological activities. However, chalcones have still not garnered deserved attention, especially considering their high potential as chemical sources for designing and developing new effective drugs. In this review, we summarize current methodological developments towards the design and synthesis of new chalcone derivatives and state-of-the-art medicinal chemistry strategies (bioisosterism, molecular hybridization, and pro-drug design). We also highlight the applicability of computer-assisted drug design approaches to chalcones and address how this may contribute to optimizing research outputs and lead to more successful and cost-effective drug discovery endeavors. Lastly, we present successful examples of the use of chalcones and suggest possible solutions to existing limitations.

KEYWORDS:

chalcone derivatives; chalcone synthesis; computer-assisted drug design; molecular modification strategies; natural products

PMID:
28757583
PMCID:
PMC6152227
DOI:
10.3390/molecules22081210
[Indexed for MEDLINE]
Free PMC Article

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