1.Discovery of potential nicotinic acid receptor agonists from Chinese herbal medicines based on molecular simulation.
Lu-Di JIANG ; Yu-Su HE ; Yan-Ling ZHANG
China Journal of Chinese Materia Medica 2014;39(23):4653-4657
Nicotinic acid could increase high density lipoprotein and reduce serum total cholesterol, low density lipoprotein cholesterol and triglycerides in human bodies, thus is frequently applied in treating low high-density lipoprotein cholesterol and hypertriglyceridemia in clinic. However, according to the findings, nicotinic acid could also cause adverse effects, such as skin flush, beside its curative effects. In this study, bioisosterism, fragment-based search and Lipinski's Rule of Five were used to preliminarily screen out potential TCM ingredients that may have similar pharmacological effects with nicotinic acid from Traditional Chinese medicine database (TCMD). Afterwards, homology modeling and flexible docking were used to further screen out potential nicotinic acid receptor agonists. As a result, eleven candidate compounds were derived from eight commonly used traditional Chinese medicines. Specifically, all of the candidate compounds' interaction with nicotinic acid receptor was similar to nicotinic acid, and their docking scores were all higher than that of nicotinic acid, but their druggability remained to be further studied. Some of the eight source traditional Chinese medicines were used to lower lipid according to literature studies, implying that they may show effect through above means. In summary, this study provides basis and reference for extracting new nicotinic acid receptor agonists from traditional Chinese medicines and improving the medication status of hyperlipidemia.
Drug Evaluation, Preclinical
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Drugs, Chinese Herbal
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chemistry
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Humans
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Models, Molecular
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Molecular Structure
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Nicotinic Acids
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chemistry
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Nicotinic Agonists
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chemistry
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Protein Binding
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Receptors, G-Protein-Coupled
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agonists
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chemistry
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Receptors, Nicotinic
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chemistry
2.ASSOCIATION OF HABITUAL CALCIUM INTAKE WITH BONE MASS IN PREMENARCHE CHINESE GIRLS
Ling WANG ; Yuming CHEN ; Guopeng HE ; Xincai XIAO ; Yixiang SU
Acta Nutrimenta Sinica 1956;0(03):-
Objective: To investigate the association of calcium intake with bone mass in premenarche girls. Method: Bone mineral density (BMD) and bone mineral content (BMC) at the whole body, lumbar spine (L1-L4) and left hip of 194 premenarche girls (10?1 years old) were measured by dual-energy X-ray absorptiometry (DEXA). Dietary calcium intakes were assessed by food frequency questionnaire and 3d weighed diet records. Results: Statistically significant positive correlations between daily calcium intake and bone bone mineral density (BMD) were or bone mineral content (BMC) at all studied bone sites were found (P
3.Study on structure-activity relationship of flavonoids' multidrug resistance-associated protein inhibitory activity.
Lian-Sheng QIAO ; Yu-Su HE ; Yan-Ling ZHANG
China Journal of Chinese Materia Medica 2014;39(5):885-890
To study the quantitative structure-activity relationship (QSAR) between the stuctures of 29 flavonoids and the inhibitory activity of their multidrug resistance-associated protein (MRP) 1 and 2 by using the comparative molecular similarity index analysis (CoMSIA). By studying the impact of the combination of different molecular force fields, researchers obtained the molecular force fields that played an important role in inhibiting the activity of MRP1 and MRP2, built the optimized QSAR model, and discussed the structural modification method for flavonoids' multidrug resistance-associated protein inhibitor. The results of the study could not only provide the guidance for new drug R&D, but also help partially discuss the synergy mechanism between MRP1 and MRP2 receptors and traditional Chinese medicines containing flavonoids.
Drugs, Chinese Herbal
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chemistry
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pharmacology
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Flavonoids
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chemistry
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pharmacology
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Humans
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Models, Molecular
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Multidrug Resistance-Associated Proteins
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antagonists & inhibitors
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chemistry
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Quantitative Structure-Activity Relationship
4.Method of traditional Chinese medicine formula design based on 3D-database pharmacophore search and patent retrieval.
Yu-su HE ; Zhi-yi SUN ; Yan-ling ZHANG
China Journal of Chinese Materia Medica 2014;39(22):4411-4417
By using the pharmacophore model of mineralocorticoid receptor antagonists as a starting point, the experiment stud- ies the method of traditional Chinese medicine formula design for anti-hypertensive. Pharmacophore models were generated by 3D-QSAR pharmacophore (Hypogen) program of the DS3.5, based on the training set composed of 33 mineralocorticoid receptor antagonists. The best pharmacophore model consisted of two Hydrogen-bond acceptors, three Hydrophobic and four excluded volumes. Its correlation coefficient of training set and test set, N, and CAI value were 0.9534, 0.6748, 2.878, and 1.119. According to the database screening, 1700 active compounds from 86 source plant were obtained. Because of lacking of available anti-hypertensive medi cation strategy in traditional theory, this article takes advantage of patent retrieval in world traditional medicine patent database, in order to design drug formula. Finally, two formulae was obtained for antihypertensive.
Antihypertensive Agents
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chemistry
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pharmacology
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Databases, Factual
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Drugs, Chinese Herbal
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chemistry
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pharmacology
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Medicine, Chinese Traditional
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methods
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Mineralocorticoid Receptor Antagonists
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chemistry
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pharmacology
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Models, Molecular
5.The manufacture and clinical application of pipe protective belt for catheter of thrombolysis via femoral artery puncture
Shuyun GUO ; Li SU ; Ling ZHANG ; Liping JI ; Danjuan WANG ; Ying HE ; Xiaojia HE
Chinese Journal of Nursing 2017;52(5):618-621
Objective To explore the effects of application of self-made pipe protective belt for catheter of thrombolysis on treatment of patients with lower limb ischaemia via femoral artery puncture. Methods From March 2016 to December 2016,116 patients with lower limb ischaemia treated with femoral artery puncture in a tertiary hospital in Hebei Province were recruited using convenience sampling method. We divided all patients into the ex-perimental group (58 cases) and the control group (58 cases) according to random number table method. For the experimental group,we used sterile transparent dressings to fix the catheter of thrombolysis,then applied self-made pipe protective belt to fix it.In the control group,we used traditional sterile transparent dressings to fix the catheter of thrombolysis,then used self-adhesive elastic bandage for external fixation by cross overlapping. Incidence rate of accidental extubation,pressure ulcer related to medical equipment (tee joint) and medical adhesive-related skin in-jury from two groups were observed. Results The incidence rate of accidental extubation in the experimental group was lower than that in the control group (P<0.01);there were statistically significant differences in the pressure ul-cer related to medical equipment (tee joint)and medical adhesive-related skin injury between two groups (P<0.05). Conclusion During catheter-directed thrombolysis for patients with lower limb ischaemia via femoral artery punc-ture,the self-made pipe protective belt can reduce the incidence of accidental extubation,avoid adverse events such as related to medical equipment (tee joint)and medical adhesive-related skin injury effectively,and ensure safety of the patients.
6.Effect of paeoniflorin on oxidative stress and energy metabolism in mice with lipopolysaccharide (LPS)-induced brain injury.
Ling LIU ; Xiang-jun QIU ; Su-na HE ; Hui YANG ; Deng WANG ; Xue-mei YANG
China Journal of Chinese Materia Medica 2015;40(14):2871-2875
Paeoniflorin is the main active ingredient of Chinese herbaceous peony. This study is to investigate the protective effect of paeoniflorin (Pae) on acute brain damage induced by lipopolysaccharide (LPS) in mice. The mice were randomly assigned to the normal control, model control (LPS), as well as groups of paeoniflorin and lipopolysaccharide (Pae + LPS). Then the mice were administered intraperitioneally with normal saline or Pae (10, 30 mg · kg(-1)) once daily for 6 d. One hour after intrapertioneally treatment on the seventh day, each group were injected LPS (5 mg · kg(-1)) to establish the endotoxin lipopolysaccharide inflammation model except the normal group. The mice were sacrificed after 6 h and the brain homogenates were prepared and measured. The malondialdehyde (MDA), superoxide dismutase (SOD), glutathione peroxidase (GSH-Px), total antioxidant capacity (T-AOC), hydrogen peroxide (H2O2), succinatedehydrogenase (SDH), Na(+)-K(+)-ATPase and Ca(2+)-Mg(2+)-ATPase were dectected by the colorimetric method. The levels of HO-1 and Nrf2 protein in subcellular fractions of brain tissue were detected by Western blot. The results demonstrated that the administration with paeoniflorin reduced the levels of the MDA production; significantly increase the activities of antioxidant enzyme (SOD and GSH-PX). In addition, paeoniflorin could enhance the total antioxidant capacity, decrease the level of H2O2, and increase the activities of SDH, Na(+)-K(+)-ATPase and Ca(2+)-Mg(2+)-ATPase. Furthermore, paeoniflorin can increase the expression of HO-1 and activate the nuclear transfer of Nrf2. Taking together, these findings suggest that paeoniflorin alleviate the acute inflammation in mice brain damage induced by LPS, which is related with its antioxidant effect and improvement of energy metabolism.
Animals
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Energy Metabolism
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drug effects
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Glucosides
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pharmacology
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Heme Oxygenase-1
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genetics
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Lipopolysaccharides
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pharmacology
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Male
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Membrane Proteins
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genetics
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Mice
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Mice, Inbred BALB C
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Monoterpenes
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pharmacology
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Oxidative Stress
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drug effects
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Sodium-Potassium-Exchanging ATPase
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metabolism
7.Effect evaluation of different ways of taking magnesium sulfate on bowel preparation prior to performing intravenous pyelography examination
Donglan LING ; Qiaozhen ZHANG ; Huiling GUO ; Chaoxian RONG ; Yihui HE ; Meixia SU
Chinese Journal of Practical Nursing 2011;27(19):11-13
Objective To analyze optimal amount of drinking water,ways of drinking water,timelimit of drinking water on the effect of bowel preparation for intravenous pyelography (IVP) examination after oral administration of 50% magnesium sulfate 60 ml. Methods 200 patients who gave their consentfrom June 2009 to February 2010 drank 50% magnesium sulfate 60 ml for IVP check were divided into four groups. Group A: a large amount of graded oral administration of warm water 1200 ml within 1h; Group B: a small amount of oral administration of warm water 1200 ml within 1h;Group C: a large amount of graded oral administration of warm water 2000 ml within 1h; Group D: a medium amount of graded oral administration of warm water 1200 ml within 2 h. And then the bowel preparation effect of the four gro ups were analyzed. Results Through the comparison, group A was much better than the other groups on the aspects of cathartic satisfaction, the effective degree of reading films and flatulence. Conclusions To take a large amount of graded oral administration of warm water 1200 ml within 1h can improve cathartic satisfaction,the effective degree of reading films and flatulence.
8.Observation on the subclasses of IgG and subsets of T cell in 120 patients with inflammatory polyps of large intestine
Journal of Third Military Medical University 2001;23(4):471-472
Objective To study the corelation between patient with inflammatory polyp of large intestine and the changes of immunologic function. Methods Polyps of large intestine were extirpated from 120 patients with fiberoptic colonoscope and the pathological changes were studies. IgG subclass and T cell subsets in the peripheral blood were determined by ELISA and IFA methods. Similar parameters were determined in 30 cases of chronic colitis as control. Results CD8 in patients were lower than that of the control and CD4/CD8 were increased compared with those in control. Conclusion Disorder of humoral and cellular immunity might play an important role on the pathogenesis of polyp of large intestine.
9.Application of lift and squeeze technique in phacoemulsification of hypermature cataract
Geng-Ying, LI ; Ping-Li, ZHU ; Min, SU ; Li-Ling, DU ; Wei, HE
International Eye Science 2014;(7):1241-1243
AlM: To evaluate the effectiveness and security of lift and squeeze technique in phacoemulsification of hypermature cataract.
METHODS: From June 2010 to June 2013, totally 156 eyes with hypermature cataract, which received phacoemulsification in our hospital, were enrolled. Lift and squeeze technique was used to chop the nucleus, and 1g/L Trypan blue was used for capsulorhexis. Average time of phaco complication, corneal edema and visual outcome were recorded.
RESULTS: The best-corrected visual acuity ( BCVA ) was 0. 1-0. 4 in 15 eyes (9. 6%), 0. 5-0. 7 in 82 (52. 6%) eyes, and 0. 8-1. 0 in 59 ( 37. 8%) eyes at 3mo after surgery. The phaco time was 25-56s (average 42±10s), the maximum phaco power was 30%. Posterior capsular rupture and vitreous loss happened in 2 eyes (1. 3%), and the lOLs were implanted in the sulcus. Corneal edema classified at grade Ⅰ were seen in 12 eyes (7. 7%), and 5 eyes (3. 2%) at gradeⅡ, no eye at gradeⅢ and gradeⅣ. The mean endothelial cell loss was 8. 7%at 3mo.
CONCLUSlON: Crystalline lens capsule staining with Trypan blue increase the success rate of intact continuous curvilinear capsulorhexis ( CCC ) . The lift and squeeze technique reduces the stress on the zonules and capsule, and decreases the phaco time and phaco power.
10.Serum specific biomarkers for detection of lymphoma using SELDI-TOF-MS
Shu-ling HOU ; Qiao-hua ZHANG ; Jun WANG ; Jian-xia HE ; Su-tang GUO ;
Journal of Leukemia & Lymphoma 2011;20(11):672-675,679
ObjectiveTo identify serum specific protein biomarkers for the early diagnosis of lymphoma patients by using surface enhanced laser desorption/ionization time of flight mass spectrometry (SELDI-TOF-MS)protein chip array.MethodsSELDI-TOF-MS technique and weak cation exchanger (WCX2)protein chip were used to detect the serum proteomic patterns of 96 patients with lymphoma (86 patients with non-Hodgkin lymphoma and 10 patients with Hodgkin lymphoma)and 30 normal control.The serum level of LDH were measured by biochemical methods,the serum level of β2-MG and CA125 were detected by enzyme-linked immunosorbent assay (ELISA).ResultsFour protein peaks pattern mass/charge ratio (M/Z) 6880,8564,8692 and 13751 were decreased in lymphoma patients,and they could be used to distinguish lymphoma from healthy people and other malignant tumors.Their sensitivity and specificity were 82.29 % and 80.00 %,78.13 % and 73.30 %,75.00 % and 80.00 %,71.88 % and 83.30 % respectively in lymphoma patients.When it was used to early diagnosing lymphoma in stage Ⅰ or Ⅱ,the sensitivity of four protein peaks pattern (M/Z 6880,8564,8692 and 13 751) were 77.55 %,71.43 %,71.43 % and 67.35 %respectively and the specificity of all four protein peaks pattern were 100.00 %.Four protein peaks pattern sensitivity were higher than LDH,CA125 and β2-MG respectively.ConclusionApplication of SELDI-TOF-MS can be of great potential for the early diagnosis of lymphoma patients.