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테호코테(Tejocote)의 Iridoid Glycoside 및 Procyanidin 성분
윤기동,서영주,신계정,강희승 한국생약학회 2024 생약학회지 Vol.55 No.1
Hawthorn is a common name for plants in the genus Crataegus, which belongs to the Rosaceae family. Especially, several species of hawthorn native to Mexico are known as tejocote. In this study, we conducted a chemical analysis of tejocote root barks obtained from overseas sources. The chemical investigation of 80% aqueous methanol extract from tejocote root barks yielded four major compounds which were identified as 6b-hydroxysplenoside (1), (-)-epicatechin (2), epicatechin-(2b ®O ®7,4b ®8)-epicatechin-(4b ®8)-epicatechin (cinnamtannin B1, 3), and epicatechin-(2b ®O ®7,4b ®8)-[epicatechin-(4b ®6)]-epicatechin-(4b ®8)-epicatechin] (parameritannin A1, 4) using the spectroscopic evidence including nuclear magnetic resonance (NMR), ultra violet (UV), mass (MS) and circular dichroism (CD).
안상봉,전대원,장기석,이병훈,신계정 대한내과학회 2019 The Korean Journal of Internal Medicine Vol.34 No.4
Background/Aims: Intestinal cholesterol absorption includes intestinal Niemann- Pick C1-like 1 (NPC1L1) and is an important target pathway in nonalcoholic fatty liver disease (NAFLD). We investigated the expression of NPC1L1 and its correlation with liver X receptor (LXR) expression in peripheral mononuclear (PMN) cells in patients with NAFLD. Methods: We evaluated intestinal expression of NPC1L1 in 25 NAFLD patients and 28 healthy controls. We calculated the mRNA expression levels of LXR and farnesoid X receptor (FXR), which are master players of cholesterol metabolism in PMN cells. The protein expression of ABCA1, ABCG5/8, NPC1L1, SREBP, LXR, FXR, and CD36 was measured on tissue samples from the duodenum and ileum. Results: The expression of LXR (p = 0.01) and FXR (p = 0.03) in PMN cells was increased in the NAFLD group compared to the control group. Duodenal NPC1L1 decreased in the NAFLD group compared to the healthy controls (3.38 ± 1.4 vs. 2.42 ± 1.2, p = 0.05). NPC1L1 expression in the duodenum was negatively correlated with LXR expression in PMN cells. Expression of LXR and FXR in the ileum was also negatively correlated with the expression of LXR in PMN cells. Conclusions: Duodenal NPC1L1 expression was decreased in NAFLD and was negatively correlated with LXR expression in PMN cells.
In silico Analysis on hERG Channel Blocking Effect of a Series of T-type Calcium Channel Blockers
장재완,송치만,최기현,조용서,백두종,신계정,Ae Nim Pae 대한화학회 2011 Bulletin of the Korean Chemical Society Vol.32 No.1
Human ether-a-go-go related gene (hERG) potassium channel blockade, an undesirable side effect which might cause sudden cardiac death, is one of the major concerns facing the pharmaceutical industry. The purpose of this study is to develop an in silico QSAR model which uncovers the structural parameters of T-type calcium channel blockers to reduce hERG blockade. Comparative molecular similarity indices analysis (CoMSIA) was conducted on a series of piperazine and benzimidazole derivatives bearing methyl 5-(ethyl(methyl)amino)-2-isopropyl-2-phenylpentanoate moieties, which was synthesized by our group. Three different alignment methods were applied to obtain a reliable model: ligand based alignment, pharmacophore based alignment, and receptor guided alignment. The CoMSIA model with receptor guided alignment yielded the best results : r^2 = 0.955, q^2 = 0.781, r^2_pred = 0.758. The generated CoMSIA contour maps using electrostatic, hydrophobic, H-bond donor, and acceptor fields explain well the structural requirements for hERG nonblockers and also correlate with the lipophilic potential map of the hERG channel pore.