从化疗药物说明书中提取信息的数据库开发,以提高未来处方。

Malcolm J D'Souza, Ghada J Alabed, Jordan M Wheatley, Natalia Roberts, Yogasudha Veturi, Xia Bi, Christopher Hart Continisio
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引用次数: 0

摘要

美国食品和药物管理局(FDA)批准的处方药(包括化疗药物)的说明书必须遵循FDA规定的特定格式。这些插入是由不相关的制药公司制作的,因此在报告所需信息的方式上往往非常不同。化学和药代动力学性质,包括吸收、分布、代谢、排泄和毒性(ADME/Tox)是处方信息包的关键要素,通常在报告的数据中缺失。本本科生课题对随机选取的85种化学成分不同的化疗药物的信息包进行分析,以获得对患者护理重要的四个参数;即分布体积(VD)、消除半衰期(t1/2)、生物利用度和水溶性。对每一种药品的说明书中的处方信息进行了详细分析,并利用商业信息学平台将相关信息列入数据库。然后使用子结构搜索工具,选择了65种化学结构中含有羰基的化疗药物,并根据假设,发现许多这些包在报告感兴趣的四个参数方面明显缺乏。为了进一步加强这种编目数据,因此开发了一个免费提供的在线数据库(http://annotation.dbi.udel.edu/CancerDB/),目的是化学、生物和临床界现在将添加一些缺失的参数。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A Database Developed with Information Extracted from Chemotherapy Drug Package Inserts to Enhance Future Prescriptions.

Package inserts of Food and Drug Administration (FDA) approved prescription drugs, including chemotherapy drugs, must follow a specific format imposed by the FDA. These inserts are created by unrelated pharmaceutical companies and as a result tend to be very different in the way the required information is reported. Chemical and pharmacokinetic properties including absorption, distribution, metabolism, excretion, and toxicity (ADME/Tox) are crucial elements to a prescribing information packet and are often missing from the reported data. This undergraduate research project analyzes the information packets of 85 randomly chosen chemically diverse chemotherapy drugs for four parameters important to patient care; viz, volume of distribution (VD), elimination half-life (t1/2), bioavailability, and water solubility. The prescribing information from the package inserts of each was analyzed in detail and pertinent information was consequently tabulated into a database using a commercial informatics platform. Then using a substructure search-tool, sixty-five chemotherapy drugs containing a carbonyl group in their chemical structure were selected and as hypothesized, it was found that many of these packets were significantly lacking in the reporting of the four parameters of interest. To further enhance this cataloged data, a freely available online database was consequently developed (http://annotation.dbi.udel.edu/CancerDB/) with the intention that the chemical, biological, and clinical community will now add some of the missing parameters.

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