• Title/Summary/Keyword: ACE model

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CoMFA and CoMSIA Study on Angiotensin-Converting Enzyme (ACE) Inhibitors: a Molecular Design of Potential Hypertensive Drugs

  • San Juan, Amor A.;Cho, Seung-Joo
    • Proceedings of the Korean Society for Bioinformatics Conference
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    • 2005.09a
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    • pp.249-255
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    • 2005
  • Angiotensin-converting enzyme (ACE) is primarily responsible for human hypertension. Current ACE drugs show serious cough and angiodema health problems due to the un-specific activity of the drug to ACE protein. The availability of ACE crystal structure (1UZF) provided the plausible biological orientation of inhibitors to ACE active site (C-domain). Three-dimensional quantitative structure-activity relationship (3D-QSAR) models have been constructed using the comparative molecula. field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) for a series of 28 ACE inhibitors. Alignment for CoMFA obtained by docking ligands to 1UZF protein using FlexX program showed better statistical model as compared to superposition of corresponding atoms. The statistical parameters indicate reasonable models for both CoMFA (q$^2$ = 0.530, r$^2$ = 0.998) and CoMSIA (q$^2$= 0.518, r$^2$ = 0.990). The 3D-QSAR analyses provide valuable information for the design of ACE inhibitors with potent activity towards C-domain of ACE. The group substitutions involving the phenyl ring and carbon chain at the propionyl and sulfonyl moieties of captopril are essential for specific activity to ACE.

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Twinax Cable Modeling for Use in HANbit ACE64 ATM Switching Systems (HANbit ACE64 ATM 교환기 시스템의 Twinax 케이블 모델링)

  • 남상식;박종대
    • The Journal of Korean Institute of Communications and Information Sciences
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    • v.24 no.12A
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    • pp.1985-1991
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    • 1999
  • In this paper, complete and general two-port lumped Spice-network model is developed for a lossy transmission line. This model is realized as a Spice subcircuit, by means of standard lumped network elements and mathematical functions. It is used as a component in the time-domain simulation of a high-speed data transmission line such as IMI(Inter Module Interface) data path in HANbit ACE 64 ATM switching system. The only required Spice network elements are resistance and frequency-dependent controlled-voltage sources. Such frequency-dependent sources are realized by utilizing the standard Hspice mathematical functions FREQ, DELAY, and POLY.

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3D-QSAR Studies on Angiotensin-Converting Enzyme (ACE)Inhibitors: a Molecular Design in Hypertensive Agents

  • San Juan, Amor A.;Cho, Seung-Joo
    • Bulletin of the Korean Chemical Society
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    • v.26 no.6
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    • pp.952-958
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    • 2005
  • Angiotensin-converting enzyme (ACE) is known to be primarily responsible for hypertension. Threedimensional quantitative structure-activity relationship (3D-QSAR) models have been constructed using the comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) for a series of 28 ACE inhibitors. The availability of ACE crystal structure (1UZF) provided the plausible biological orientation of inhibitors to ACE active site (C-domain). Alignment for CoMFA obtained by docking ligands to 1UZF protein using FlexX program showed better statistical model as compared to superposition of corresponding atoms. The statistical parameters indicate reasonable models for both CoMFA ($q^2$ = 0.530, $r^2$ = 0.998) and CoMSIA ($q^2$ = 0.518, $r^2$ = 0.990). The 3D-QSAR analyses provide valuable information for the design of ACE inhibitors with potent activity towards C-domain of ACE. The group substitutions involving the phenyl ring and carbon chain at the propionyl and sulfonyl moieties of captopril are essential for better activity against ACE.

Angiotensin Converting Enzyme Inhibitory Activity of BR-900317 in vivo, and Antihypertensive Effect of its Single Oral Administration on Blood Pressure and Effect on the Renin-angiotensin System in Hypertensive Model Rats (SHR, RHR) (BR-900317의 In vivo에 있어서 Angiotensin 변환효소 저해작용 밀 고혈압 model rat (SHR, RHR)에 있어 단회 경구투여에 의한 강압작용)

  • 장경진;김지한;백우현
    • Biomolecules & Therapeutics
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    • v.1 no.2
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    • pp.220-225
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    • 1993
  • Effect of BR-900317 on the angiotensin I-induced pressor response in pithed rats and the effects of its single oral administration on plasma angiotensin converting enzyme (ACE) activities in normotensive rats and on the cardiovascular system in hypertensive model rats (SHR, RHR), were compared with those of captopril. BR-900317 attenuated the angiotensin I-induced pressor effects in pithed rats. In a single oral dose administration study, BR-900317 inhibited the plasma ACE activities in a dose-dependent fashion. Duration of the action of BR-900317 was similar to that of captopril. BR-900317 produced antihypertensive effect in spontaneously hypertensive rats and dose-dependent antihypertensive effect in 2-kidney Goldblatt hypertensive rats without affecting heart rate. These results suggest that the main mechanism of the antihypertensive effect of BR-900317 is the suppression of angiotensin II production due to the inhibition of the ACE.

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The Distribution of Genetic Polymorphism in the ACE2 Gene in Korean Essential Hypertensives (한국인 본태성 고혈압 환자군에서 ACE2유전자에 존재하는 A1075G다형성의 분포에 관한 연구)

  • Jang Min Hee;Kang Byung Yong;Lee Jae Koo;Lee Kang Oh
    • Environmental Analysis Health and Toxicology
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    • v.20 no.4 s.51
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    • pp.303-309
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    • 2005
  • Essential hypertension has been considered as multifactorial disease resulted from the interaction of both environmental and genetic factors. The renin-angiotensin system (RAS) plays an important role in the regulation of blood pressure homeostasis. Recently, a homologue of angiotensin I converting enzyme, ACE2 has been focused on as a candidate gene of essential hypertension in the experiments using animal model and human being. In this study, we carried out an association study in order to clarify the relationship between the A 1075G polymorphism in the ACE2 gene and essential hypertension in Korean subjects. Because this polymorphism is located on human chromosome X, the statistical analysis for each gender was performed separately. There were no significant differences in allele distribution of the A 1075G polymorphism in the ACE2 gene between normotensives and hypertensives in the both gender groups, respectively. However, this polymorphism was significantly associated with systolic blood pressure (SBP) and diastolic blood pressure (DBP) values in only female groups (P< 0.05). Thus, these results may suggest the probable role of ACE2 gene in the inter-individual susceptibility of female group to blood pressure variability.

Effects of the Acasia Catechu Extract on the Membranous Nephropathy Induced by Cationic Bovine Serum Albumin in Mice (아차(兒茶)가 Cationic Bovine Serum Albumin 투여로 유발된 Membranous Nephropathy Mouse Model에 미치는 영향)

  • Jeong, Gi-Hun;Cho, Chung-Sik;Kim, Cheol-Jung
    • The Journal of Internal Korean Medicine
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    • v.30 no.3
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    • pp.495-509
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    • 2009
  • Objective : Membranous nephropathy(MN) is an organ-specific autoimmune disease and a relatively common cause of nephrotic syndrome in adults worldwide. But treatment of MN is not defined. This study was to evaluate the effects of Acasia Catechu extract(ACE) on the MN induced by cBSA in mice. Methods : Mice were divided into 4 groups. The normal group was injected with a saline solution. The control group was treated with cBSA(10 mg/kg i.p.) only. The third group was treated with cBSA (10 mg/kg i.p.) and ACE (250 mg/kg, p.o.). The fourth group was treated with cBSA (10mg/kg i.p.) and ACE (500mg/kg, p.o.). After cBSA and ACE treatment for 6 weeks, we measured change of body weight, 24hrs proteinuria, serum albumin, total cholesterol, triglyceride, BUN, creatinine, TNF-$\alpha$, IL-6, IL-$1{\beta}$, IFN-$\gamma$, IgA, IgM and IgG levels. The morphologic changes of renal glomeruli were also observed with a light microscope. Results : The levels of 24 hrs proteinuria, total cholesterol, triglyceride, IgG, IgM, IgA, TNF-$\alpha$, IL-6, IL-$1{\beta}$, IFN-$\gamma$ significantly decreased in both ACE groups. The level of albumin significantly increased in both ACE groups. The mRNA expression of IL-$1{\beta}$ in splenocytes considerably decreased in the ACE-500 group. In histological findings of kidney tissue, thickening of GBM decreased in both ACE groups. Conclusions : This study shows that ACE might be effective for treatment of MN. More clinical data and studies are to be done for efficient application.

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The anti-inflammatory effect of Indonesian Areca catechu leaf extract in vitro and in vivo

  • Lee, Kang Pa;Sudjarwo, Giftania Wardani;Kim, Ji-Su;Dirgantara, Septrianto;Maeng, Won Jai;Hong, Heeok
    • Nutrition Research and Practice
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    • v.8 no.3
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    • pp.267-271
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    • 2014
  • BACKGROUND/OBJECTIVES: Overproduction of nitric oxide (NO) by the inducible nitric oxide synthase (iNOS) enzyme can cause inflammation. Cyclooxygenase-2 (COX-2) is also involved in the inflammatory response through regulation of nuclear factor-kappa B $NF-{\kappa}B$(). Areca catechu is one of the known fruit plants of the Palmaceae family. It has been used for a long time as a source of herbal medicine in Indonesia. In this study, we explored the effect of Indonesian Areca catechu leaf ethanol extract (ACE) in lipopolysaccharide (LPS)-induced inflammation and carrageenan-induced paw edema models. Recently, this natural extract has been in the spotlight because of its efficacy and limited or no toxic side effects. However, the mechanism underlying its anti-inflammatory effect remains to be elucidated. MATERIALS/METHODS: We measured NO production by using the Griess reagent, and determined the expression levels of inflammation-related proteins, such as iNOS, COX2, and $NF-{\kappa}B$, by western blot. To confirm the effect of ACE in vivo, we used the carrageenan-induced paw edema model. RESULTS: Compared to untreated cells, LPS-stimulated RAW 264.7 cells treated with ACE showed reduced NO generation and reduced iNOS and COX-2 expression. We found that the acute inflammatory response was significantly reduced by ACE in the carrageenan-induced paw edema model. CONCLUSION: Taken together, these results suggest that ACE can inhibit inflammation and modulate NO generation via downregulation of iNOS levels and $NF-{\kappa}B$ signaling in vitro and in vivo. ACE may have a potential medical benefit as an anti-inflammation agent.

Degradation characteristics of acenaphthene or acenaphthylene by Fenton oxidation (펜톤산화에 의한 acenaphthene 또는 acenaphthylene 분해특성)

  • Lee, Byung-Dae;Kim, Yeoung-Chan
    • Journal of the Korean Applied Science and Technology
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    • v.24 no.1
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    • pp.47-53
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    • 2007
  • The acenaphthene(ACE) or acenaphthylene(ACEL) is one of the most frequently found compound in polycyclic aromatic hydrocarbon (PAH)-contaminated soil. In this study, we make 10mg/L ACE or ACEL in ethanol which is the model washing solvent for contaminated soil. This was followed by Fenton treatment in which 0.2 or 0.3mL of 30% $H_2O_2$ and 0.2 ml of 0.5 M $Fe^{2+}$ were added. The results showed more than 88 or 99% of ACE or ACEL removal efficiency, respectively. Additionally, we employed GC-MS to identify the main oxidation product generated by the optimized Fenton oxidation [i.e., ACE or ACEL degraded in to 21, 34 % 1,8-naphthalic anhydride(NAPAN), repectively]. It is expected that biodegradability of NAPAN is enhanced because NAPAN has three oxygens compared with ACE and ACEL. Therefore the results suggest that the hybrid treatment system (i.e., ethanol washing -Fenton oxidation treatment) can be effectively applied to remove ACE or ACEL from soil..

The Effect of Lactobacillus gasseri BNR17 on Postmenopausal Symptoms in Ovariectomized Rats

  • Lee, Sol;Jung, Dong Hoon;Park, Miri;Yeon, Seung-Woo;Jung, Sang-Hyuk;Yun, Sung-Il;Park, Han-Oh;Yoo, Wonbeak
    • Journal of Microbiology and Biotechnology
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    • v.31 no.9
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    • pp.1281-1287
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    • 2021
  • Clinical and preclinical studies have reported that Lactobacillus gasseri BNR17, a probiotic bacterial strain isolated from human breast milk, reduces body weight and white adipose tissue volume. In order to further explore the actions of L. gasseri BNR17, we investigated the anti-menopausal effects of L. gasseri BNR17 in an ovariectomized (OVX) rat model. The serum alanine aminotransferase levels of the rats in the OVX-BNR17 group were lower than those of the rats in the OVX-vehicle only (OVX-Veh) group. Upon administration of L. gasseri BNR17 after ovariectomy, calcitonin and Serotonin 2A levels increased significantly, whereas serum osteocalcin levels showed a decreasing tendency. Compared to the rats in the OVX-Veh group, those in the OVX-BNR17 group showed lower urine deoxypyridinoline levels, lower pain sensitivity, and improved vaginal cornification. Furthermore, L. gasseri BNR17 administration increased bone mineral density in the rats with OVX-induced femoral bone loss. These results suggest that L. gasseri BNR17 administration could alleviate menopausal symptoms, indicating that this bacterium could be a good functional probiotic for managing the health of older women.

CFD-ACE+를 이용한 Gas Flow Sputtering 공정 해석

  • Ju, Jeong-Hun
    • Proceedings of the Korean Vacuum Society Conference
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    • 2016.02a
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    • pp.182.2-182.2
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    • 2016
  • Hollow cathode discharge(중공 음극)는 음극 표면에서 발생되는 2차 전자를 이용하여 높은 밀도의 플라즈마를 만들 수 있는 장점이 있다. 전원으로 microwave, RF, DC, pulsed dc등을 사용할 수 있으며 박막의 증착, 식각 등에 응용 가능하다. 물리적 현상으로는 중공 음극 재료 표면 물질의 가열 및 이온 스퍼터링, 2차 전자의 가열, 자기장 인가 구조의 경우 전자 거동이 있다. PIC(particle-in-cell)방식의 모델링과 fluid model을 이용한 방법이 있는데 본 연구에서는 상용 fluid model software인 ESI사의 CFD-ACE+를 사용하여 모델링 하였다. 구동 주파수는 13.56 MHz의 상용 고주파 전원과 보다 낮은 1 MHz, 100 kHz의 수치 모델을 이용하여 HF, MF, LF 영역에서의 동작 특성을 해석하였다. 1차적으로는 가스 유동의 특성을 2D, 3D로 조사하였고 플라즈마 거동은 2차원을 주로 진행하였으며 계산 시간이 오래 거리는 3차원 모델을 하나 만들어 그 특성을 조사하였다.

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