IMR Press / FBE / Volume 5 / Issue 2 / DOI: 10.2741/E623

Frontiers in Bioscience-Elite (FBE) is published by IMR Press from Volume 13 Issue 2 (2021). Previous articles were published by another publisher on a subscription basis, and they are hosted by IMR Press on as a courtesy and upon agreement with Frontiers in Bioscience.


Patents of bio-active compounds based on computer-aided drug discovery techniques

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1 Department of Organic Chemistry, Faculty of Pharmacy, University of Santiago de Compostela (USC), Santiago de Compostela, 15782, Spain
2 CIQ-Departamento de Quimica, Facultade de Ciencias, Universidade de Porto, Rua do Campo Alegre, 687, 4169-007 Porto, Portugal
3 Facolta di Farmacia, Dipartimento Farmaco Chimico Tecnologico, UNICA, Cagliari 09124, Italy
4 Department of Microbiology and Parasitology, Faculty of Pharmacy, USC, Santiago de Compostela, 15782, Spain
5 Department of Especial Public Law, Financial and Tributary Law Area, Faculty of Law, USC, 15782, Spain

*Author to whom correspondence should be addressed.

Academic Editor: Aliuska Duardo-Sanchez

Front. Biosci. (Elite Ed) 2013, 5(2), 399–407;
Published: 1 January 2013
(This article belongs to the Special Issue Legal issues for chem-bioinformatics models)

In recent times, there has been an increased use of Computer-Aided Drug Discovery (CADD) techniques in Medicinal Chemistry as auxiliary tools in drug discovery. Whilst the ultimate goal of Medicinal Chemistry research is for the discovery of new drug candidates, a secondary yet important outcome that results is in the creation of new computational tools. This process is often accompanied by a lack of understanding of the legal aspects related to software and model use, that is, the copyright protection of new medicinal chemistry software and software-mediated discovered products. In the center of picture, which lies in the frontiers of legal, chemistry, and biosciences, we found computational modeling-based drug discovery patents. This article aims to review prominent cases of patents of bio-active organic compounds that involved/protect also computational techniques. We put special emphasis on patents based on Quantitative Structure-Activity Relationships (QSAR) models but we include other techniques too. An overview of relevant international issues on drug patenting is also presented.

Legal issues in Computational Drug Discovery
Drug Patents
QSAR Copyright
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