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HIT 2.0:草药成分靶点的增强平台。

HIT 2.0: an enhanced platform for Herbal Ingredients' Targets.

机构信息

Dept. of Gastroenterology, Shanghai Tenth People's Hospital, School of Life Sciences and Technology, Tongji University, Shanghai 200092, China.

International Human Phenome Institutes (Shanghai), Shanghai, China.

出版信息

Nucleic Acids Res. 2022 Jan 7;50(D1):D1238-D1243. doi: 10.1093/nar/gkab1011.

Abstract

Literature-described targets of herbal ingredients have been explored to facilitate the mechanistic study of herbs, as well as the new drug discovery. Though several databases provided similar information, the majority of them are limited to literatures before 2010 and need to be updated urgently. HIT 2.0 was here constructed as the latest curated dataset focusing on Herbal Ingredients' Targets covering PubMed literatures 2000-2020. Currently, HIT 2.0 hosts 10 031 compound-target activity pairs with quality indicators between 2208 targets and 1237 ingredients from more than 1250 reputable herbs. The molecular targets cover those genes/proteins being directly/indirectly activated/inhibited, protein binders, and enzymes substrates or products. Also included are those genes regulated under the treatment of individual ingredient. Crosslinks were made to databases of TTD, DrugBank, KEGG, PDB, UniProt, Pfam, NCBI, TCM-ID and others. More importantly, HIT enables automatic Target-mining and My-target curation from daily released PubMed literatures. Thus, users can retrieve and download the latest abstracts containing potential targets for interested compounds, even for those not yet covered in HIT. Further, users can log into 'My-target' system, to curate personal target-profiling on line based on retrieved abstracts. HIT can be accessible at http://hit2.badd-cao.net.

摘要

草药成分的文献描述靶点已被探索用于促进草药的机制研究和新药发现。尽管有几个数据库提供了类似的信息,但它们中的大多数都仅限于 2010 年前的文献,急需更新。HIT 2.0 是一个最新的、经过精心整理的数据集,专注于草药成分的靶点,涵盖了 2000 年至 2020 年期间的 PubMed 文献。目前,HIT 2.0 拥有 10031 个化合物-靶标活性对,质量指标涵盖了 2208 个靶标和 1237 种来自 1250 多种可靠草药的成分。分子靶标包括那些被直接/间接激活/抑制的基因/蛋白质、蛋白质结合物、酶的底物或产物,以及个别成分治疗下调节的基因。还包括与 TTD、DrugBank、KEGG、PDB、UniProt、Pfam、NCBI、TCM-ID 等数据库的交叉链接。更重要的是,HIT 允许从每日发布的 PubMed 文献中自动进行目标挖掘和我的目标整理。因此,用户可以检索和下载包含感兴趣化合物潜在靶点的最新摘要,即使这些化合物尚未包含在 HIT 中。此外,用户可以登录“我的目标”系统,根据检索到的摘要在线整理个人目标档案。HIT 可在 http://hit2.badd-cao.net 访问。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7983/8728248/15fc92f45ae4/gkab1011fig1.jpg

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