PMID: 19128215Jan 9, 2009Paper

In silico and in vitro: identifying new drugs

Current Drug Targets
Ivani PauliWalter Filgueira de Azevedo

Abstract

Drug development is a high cost and laborious process, requiring a number of tests until a drug is made available in the market. Therefore, the use of methods to screen large number of molecules with less cost is crucial for faster identification of hits and leads. One strategy to identify drug-like molecules is the search for molecules able to interfere with a protein function, since protein interactions control most biological processes. Ideally the use of in silico screenings would make drug development faster and less expensive. Currently, however, the confirmation of biological activity is still needed. Due to the complexity of the task of drug discovery, an integrated and multi-disciplinary approach is ultimately required. Here we discuss examples of drugs developed through a combination of in silico and in vitro strategies. The potential use of these methodologies for the identification of active compounds as well as for early toxicity and bioavailability is also reviewed.

Citations

Jan 28, 2009·Journal of Molecular Modeling·Ivani PauliWalter Filgueira de Azevedo
Dec 25, 2012·Journal of Chemical Information and Modeling·Bo DingWei Wang
Jun 11, 2010·Proceedings of the National Academy of Sciences of the United States of America·Elodie LaineArnaud Blondel
Aug 12, 2009·Journal of Molecular Modeling·Fernando Berton ZanchiWalter Filgueira de Azevedo
Mar 14, 2009·Biophysical Chemistry·Luis Fernando Saraiva Macedo TimmersWalter Filgueira de Azevedo
Jun 21, 2017·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Jingwei LiangFanhao Meng
Feb 6, 2015·Journal of Virology·Christine BurkardCornelis A M de Haan

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