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美国国家癌症研究所天然产物发现计划:利用人工神经网络探索天然产物样品的NCI-60筛选数据。

National Cancer Institute (NCI) Program for Natural Product Discovery: Exploring NCI-60 Screening Data of Natural Product Samples with Artificial Neural Networks.

作者信息

Evans Jason R, Akee Rhone K, Chanana Shaurya, McConachie Grant D, Thornburg Christopher C, Grkovic Tanja, O'Keefe Barry R

机构信息

Natural Products Branch, Developmental Therapeutic Program, Division of Cancer Treatment and Diagnosis, National Cancer Institute, Frederick, Maryland 21702-1201, United States.

Natural Products Support Group, Leidos Biomedical Research, Inc., Frederick National Laboratory for Cancer Research, Frederick, Maryland 21702-1201, United States.

出版信息

ACS Omega. 2023 Mar 1;8(10):9250-9256. doi: 10.1021/acsomega.2c07416. eCollection 2023 Mar 14.

Abstract

National Cancer Institute (NCI) Program for Natural Product Discovery is a new initiative aimed at creating new technologies for natural product-based drug discovery. Here, we present the development of a neural network-based bioinformatics platform for visualization and analysis of natural product high-throughput screening data using the NCI's 60 human tumor cell anticancer drug screen. We demonstrate how the tool enables visualization of similar patterns of response that can be parsed both chemically and taxonomically, grouping NCI-60 biological profiles in one easy-to-use bioinformatics interface.

摘要

美国国立癌症研究所(NCI)天然产物发现计划是一项新举措,旨在创建基于天然产物的药物发现新技术。在此,我们展示了一个基于神经网络的生物信息学平台的开发,该平台用于使用NCI的60种人类肿瘤细胞抗癌药物筛选来可视化和分析天然产物高通量筛选数据。我们展示了该工具如何能够可视化可从化学和分类学角度解析的相似反应模式,在一个易于使用的生物信息学界面中对NCI-60生物学概况进行分组。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3aa7/10018511/9768821eb657/ao2c07416_0002.jpg

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