Pharmacognosy Institute and Department of Pharmaceutical Sciences, College of Pharmacy, University of Illinois at Chicago, Chicago, Illinois 60612, United States.
United States Dairy Forage Research Center, Agricultural Research Service (ARS), United States Department of Agriculture (USDA), Madison, Wisconsin 53706, United States.
J Agric Food Chem. 2020 Nov 25;68(47):13541-13549. doi: 10.1021/acs.jafc.0c05392. Epub 2020 Nov 11.
Proanthocyanidins (PACs) are near-ubiquitous and chemically complex metabolites, prototypical of higher plants. Their roles in food/feed/nutrition and ethnomedicine are widely recognized but poorly understood. With the analysis of evidence that underlies this challenge, this perspective identifies shortcomings in capturing and delineating PAC structures as key factors. While several groups have forwarded new representations, a consensus method that captures PAC structures concisely and offers high integrity for electronic storage is required to reduce confusion in this expansive field. The PAC block arrays (PACBAR) system fills this gap by providing precise and human- and machine-readable structural descriptors that capture PAC metabolomic structural diversity. PACBAR enables communication of PAC structures for the development of precise structure-activity relationships and will assist in advancing PAC research to the next level.
原花青素（PACs）是广泛存在且化学结构复杂的代谢产物，是高等植物的典型代表。它们在食品/饲料/营养和民族医学中的作用得到了广泛认可，但人们对其知之甚少。通过对这一挑战的基础证据进行分析，本文认为，在捕捉和描绘 PAC 结构方面存在的不足是关键因素。虽然有几个研究小组提出了新的表示方法，但需要一种能够简洁地捕捉 PAC 结构并提供高完整性电子存储的共识方法，以减少这个广阔领域中的混乱。PAC 块阵列（PACBAR）系统通过提供精确的、可被人和机器读取的结构描述符，来填补这一空白，这些结构描述符可以捕捉 PAC 代谢组学的结构多样性。PACBAR 能够对 PAC 结构进行交流，从而开发出精确的结构-活性关系，并将有助于将 PAC 研究提升到一个新的水平。
