1-Caffeoylquinic acid

The herb of Lonicera japonica Thunb.

Dietary phytochemicals as potent chemotherapeutic agents against breast cancer: Inhibition of NF-kappaB pathway via molecular interactions in rel homology domain of its precursor protein p105.[Pubmed:23661994]

Pharmacogn Mag. 2013 Jan;9(33):51-7.

BACKGROUND: Dietary phytochemicals consist of a wide variety of biologically active compounds that are ubiquitous in plants, many of which have been reported to have anti-tumor as well as anti-inflammatory properties. OBJECTIVE: In the present study, we aimed to validate these findings by using docking protocols and explicate the possible mechanism of action for a dataset of nine phytochemicals namely boswellic acid, 1-Caffeoylquinic acid, ellagic acid, emodin, genistein, guggulsterone, quercetin, resveratrol, and sylibinin from different plants against the nuclear factor- kappaB (NF-kappaB) precursor protein p105, an important transcription factor reported to be overexpressed in breast cancer. MATERIALS AND METHODS: 2-D structures of all phytochemicals were retrieved from PubChem Compound database and their subsequent conversion into 3-D structures was performed by using online software system CORINA. The X-ray crystallographic structure of the NF-kappaB precursor p105 was extracted from Brookhaven Protein Data Bank. Molecular docking simulation study was carried out by using AutoDock Tools 4.0. RESULTS: Our results showed significant binding affinity of different phytochemicals with the Rel homology domain of the NF-kappaB precursor protein p105. Quercetin and 1-Caffeoylquinic acid were found to be very effective inhibitors against target molecule as they showed binding energy of -12.11 and -11.50 Kcal/mol, respectively. The order of affinity of other ligands with p105 was found as follows: guggulsterone > sylibinin > emodin > resveratrol > genistein > boswellic acid > ellagic acid. CONCLUSION: Our in silico study has explored the possible chemopreventive mechanism of these phytochemicals against the NF-kappaB precursor protein p105 and deciphered that quercetin, 1-Caffeoylquinic acid and guggulsterone were the potent inhibitors against target molecule. In addition, large scale preclinical and clinical trials are needed to explore the role of these chemotherapeutic molecules against the NF-kappaB precursor protein p105 in cure and prevention of breast cancer.

Qualitative and quantitative analysis of phenolics in Tetrastigma hemsleyanum and their antioxidant and antiproliferative activities.[Pubmed:24151872]

J Agric Food Chem. 2013 Nov 6;61(44):10507-15.

The phenolic profiles of Tetrastigma hemsleyanum leaf extracts by different solvents (80% methanol, ethyl acetate and hexane) and their antioxidant and antiproliferative activities were investigated. Thirteen phenolic compounds (3-caffeoylquinic acid, 5-caffeoylquinic acid, 1-Caffeoylquinic acid, 5-p-coumaroylquinic acid, isoorientin-2''-O-rhamnoside, isoorientin, orientin-2''-O-rhamnoside, orientin, 1-p-coumaroylquinic acid, vitexin-2''-O-rhamnoside, isovitexin-2''-O-rhamnoside, vitexin and isovitexin) were identified in T. hemsleyanum leaves for the first time, and six of them were quantified using a combination of LC-QTOF-MS and LC-QqQ-MS techniques. It was found that 80% methanol extract exhibited the highest antioxidant activities (DPPH, 3.32 mmol of Trolox/g DW; ABTS, 1.38 mmol of Trolox/g DW; FRAP, 1.85 mmol of FeSO4/g DW), while the hexane extract had the lowest (1.23, 0.43 and 0.13, respectively). Total phenolic contents (TPC) of various extracts of T. hemsleyanum leaves ranged from 28.95 to 275.71 mg of GAE/g DW. Also, total antioxidant activities as evaluated by ABTS, FRAP and DPPH assays were correlated well with TPC. In addition, 80% methanol extract provided antiproliferative activity on HepG2 cells (IC50 = 524 mug/mL). This paper provides a complete picture of phenolics in T. hemsleyanum leaves and relates them to their antioxidant and antiproliferative activities.

1-Caffeoylquinic acid is an effective NF-κB inhibitor, shows significant binding affinity to the RH domain of p105 with Ki of 0.002 μM and binding energy of 1.50 Kcal/mol. 1-Caffeoylquinic acid has anti-oxidative stress ability. 1-Caffeoylquinic acid inhibits PD-1/PD-L1 interact.

1-Caffeoylquinic acid,1241-87-8,Natural Products, buy 1-Caffeoylquinic acid , 1-Caffeoylquinic acid supplier , purchase 1-Caffeoylquinic acid , 1-Caffeoylquinic acid cost , 1-Caffeoylquinic acid manufacturer , order 1-Caffeoylquinic acid , high purity 1-Caffeoylquinic acid