HIT 2.0: an enhanced platform for Herbal Ingredients' Targets

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.

Network Pharmacology and Molecular Docking Analysis Explores the Mechanisms of Cordyceps sinensis in the Treatment of Oral Lichen Planus

“…HIT2.0 (Herbal Ingredients' Targets Platform) ( https://www.badd-cao.net:2345/ ) is an evidence-based comprehensive search and management platform for herbal ingredients and target information [ 29 ], where active ingredients are entered to obtain known targets. In addition, PharmMapper is used to identify potential candidate targets for a given small molecule drug by using a pharmacophore mapping approach [ 30 ] by submitting the MOL2 format file of the active ingredient to the PharmMapper platform( https://www.lilab-ecust.cn/pharmmapper/ ) for target prediction.…”

Prevention of polycystic ovary syndrome and postmenopausal osteoporosis by inhibiting apoptosis with Shenling Baizhu powder compound

“…According to the name of traditional Chinese medicine, the active components of Shenling Baizhu powder were obtained from Herbal Ingredients’ Targets Platform 2.0 (HIT 2.0) ( http://www.badd-cao.net:2345/ ) ( Ye et al, 2011 ; Yan et al, 2022 ). The active components of Shenling Baizhu powder included: Amomum villosum , Atractylodes macrocephala , Coix lacryma-jobi var.…”

Methodology of network pharmacology for research on Chinese herbal medicine against COVID-19: A review

“…The development of various computational methods, such as molecular docking-based [37] , pharmacophore-based [38] , chemical similarity-based [39] , machine learning-based [40] , and network-based [41] methods, has provided valuable strategies for the systematic prediction of potential CTIs. Several data sources for screening and prediction of CTIs are introduced in Table 1 [42] , [43] , [44] , [45] , [46] , [47] , [48] , [49] , [50] , [51] .…”

“… No [50] HIT 2.0 http://hit2.badd-cao.net/ A comprehensive searching and curation platform for CTI information based on literature evidence. No [51] 2D: two dimensions; 3D: three dimensions; CTI: compound-target interaction. …”