Prado-Prado Francisco, Garcia-Mera Xerardo, Rodriguez-Borges Jose Enrique, Concu Riccardo, Perez-Montoto Lazaro Guillermo, Gonzalez-Diaz Humberto, Duardo-Sanchez Aliuska
Department of Organic Chemistry, Faculty of Pharmacy, University of Santiago de Compostela, Santiago de Compostela, 15782 Spain.
Front Biosci (Elite Ed). 2013 Jan 1;5(2):399-407. doi: 10.2741/e623.
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.
近年来，计算机辅助药物发现（CADD）技术在药物化学中作为药物发现的辅助工具的使用有所增加。虽然药物化学研究的最终目标是发现新的候选药物，但一个次要但重要的成果是创造新的计算工具。这个过程往往伴随着对与软件和模型使用相关的法律方面缺乏理解，即新药物化学软件和软件介导发现的产品的版权保护。在处于法律、化学和生物科学前沿的图景中心，我们发现了基于计算建模的药物发现专利。本文旨在回顾涉及/保护计算技术的生物活性有机化合物专利的突出案例。我们特别强调基于定量构效关系（QSAR）模型的专利，但也包括其他技术。还介绍了药物专利相关国际问题的概述。
