On the importance of data curation for knowledge mining in antiviral research.

IF 2.6 4区 综合性期刊 Q2 MULTIDISCIPLINARY SCIENCES Science Progress Pub Date : 2025-01-01 DOI:10.1177/00368504241301535
Holli-Joi Martin, Cleber C Melo-Filho, Alexey V Zakharov, Eugene Muratov, Alexander Tropsha
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Abstract

The recent severe acute respiratory syndrome coronavirus 2 pandemic has clearly exemplified the need for broad-spectrum antiviral (BSA) medications. However, previous outbreaks show that about one year after an outbreak, interest in antiviral research diminishes and the work toward an effective medication is left unfinished. Martin et al. endeavored to support the early stages of focused BSA development by creating the Small Molecule Antiviral Compound Collection (SMACC), which is publicly available online at https://smacc.mml.unc.edu. SMACC is a highly curated database with over 32,500 entries of chemical compounds tested in both phenotypic and target-based assays across 13 viruses from the NIAID's list of emerging infectious diseases/pathogens. The authors advise judicious use of knowledge collections such as SMACC and recommend users critically evaluate retrieved data and resulting hypotheses prior to experimental testing. When used correctly, SMACC-like databases may serve as a reference for medicinal chemists and virologists working to develop novel BSA medications. To summarize, we emphasize the importance of data curation for both novel outbreak prediction and development of BSAs against these outbreaks.

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论数据管理对抗病毒研究中知识挖掘的重要性。
最近的严重急性呼吸系统综合征冠状病毒2大流行清楚地表明了对广谱抗病毒药物的需求。然而,以前的疫情表明,疫情爆发后大约一年,对抗病毒研究的兴趣减弱,对有效药物的研究仍未完成。Martin等人通过创建小分子抗病毒化合物集合(SMACC)努力支持BSA开发的早期阶段,该集合可在https://smacc.mml.unc.edu上公开获取。SMACC是一个高度管理的数据库,包含超过32,500个化合物条目,这些化合物经过表型和基于靶标的检测,涉及NIAID新发传染病/病原体清单中的13种病毒。作者建议明智地使用知识集合,如SMACC,并建议用户在实验测试之前批判性地评估检索到的数据和产生的假设。如果使用得当,smacc类数据库可以作为药物化学家和病毒学家开发新型BSA药物的参考。总之,我们强调数据管理对于新型疫情预测和针对这些疫情的bsa开发的重要性。
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来源期刊
Science Progress
Science Progress Multidisciplinary-Multidisciplinary
CiteScore
3.80
自引率
0.00%
发文量
119
期刊介绍: Science Progress has for over 100 years been a highly regarded review publication in science, technology and medicine. Its objective is to excite the readers'' interest in areas with which they may not be fully familiar but which could facilitate their interest, or even activity, in a cognate field.
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