• Title/Summary/Keyword: Randomization test

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A Combined Pharmacophore-Based Virtual Screening, Docking Study and Molecular Dynamics (MD) Simulation Approach to Identify Inhibitors with Novel Scaffolds for Myeloid cell leukemia (Mcl-1)

  • Bao, Guang-Kai;Zhou, Lu;Wang, Tai-Jin;He, Lu-Fen;Liu, Tao
    • Bulletin of the Korean Chemical Society
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    • v.35 no.7
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    • pp.2097-2108
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    • 2014
  • Chemical feature based quantitative pharmacophore models were generated using the HypoGen module implemented in DS2.5. The best hypothesis, Hypo1, which was characterized by the highest correlation coefficient (0.96), the highest cost difference (61.60) and the lowest RMSD (0.74), consisted of one hydrogen bond acceptor, one hydrogen bond donor, one hydrophobic and one ring aromatic. The reliability of Hypo1 was validated on the basis of cost analysis, test set, Fischer's randomization method and GH test method. The validated Hypo1 was used as a 3D search query to identify novel inhibitors. The screened molecules were further refined by employing ADMET, docking studies and visual inspection. Three compounds with novel scaffolds were selected as the most promising candidates for the designing of Mcl-1 antagonists. Finally, a 10 ns molecular dynamics simulation was carried out on the complex of receptor and the retrieved ligand to demonstrate that the binding mode was stable during the MD simulation.

Effects of Three-Week Contract-Relax Interventions with and without Reinforcement Using Temporal Summation for Flexibility and Balance Ability in Young People with Hamstring Shortening (공간적 가중을 이용한 강화 유무에 따른 3주간 수축-이완 중재가 넙다리뒤근 단축 대상자의 유연성과 균형능력에 미치는 효과)

  • Kim, Yong-Hun;Park, Du-Jin
    • PNF and Movement
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    • v.20 no.3
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    • pp.383-390
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    • 2022
  • Purpose: The purpose of this study was to examine the effect of three-week contract-and-relax (CR) interventions with and without reinforcement using temporal summation for flexibility and dynamic balance ability in young people with hamstring shortening. Methods: This study was conducted on 20 female college students with hamstring shortening. The participants were divided equally into two groups using stratified randomization: the CR group (CRG) and the CR with reinforcement group (CRRG). All interventions were applied three times a week for three weeks. The passive straight leg raise (PSLR) test and functional reaching test (FRT) were conducted on each participant before and after the three-week intervention. Results: In both groups, PSLR and FRT improved significantly after the three-week intervention compared to before intervention (p < 0.01). The amount of change in PSLR after the three-week intervention was significantly higher in CRRG than in CRG (p < 0.05). Conclusion: Three-week CR interventions with and without reinforcement were effective in improving PSLR and FRT. To improve hamstring shortening, CR intervention with reinforcement may be more useful than CR intervention without reinforcement.

Neuromodulation of the median nerve in carpal tunnel syndrome, a single-blind, randomized controlled study

  • Gevher Rabia Genc Perdecioglu;Mehlika Panpalli Ates;Damla Yuruk;Omer Taylan Akkaya
    • The Korean Journal of Pain
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    • v.37 no.1
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    • pp.34-40
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    • 2024
  • Background: This study aimed to evaluate the efficacy of pulsed radiofrequency applied using transcutaneous electrodes in carpal tunnel syndrome (CTS). Methods: After randomization, the patients received two cycles of noninvasive pulsed radiofrequency (NiPRF), once weekly, or splinting (the control group) for three months. Clinical evaluations were recorded at baseline and weeks 4 and 8. The Boston Carpal Tunnel Syndrome Questionnaire (BCTQ) was used to determine the functional status and symptom severity. Results: Sixty-two patients were followed up for three months. There was no difference between the groups in the BCTQ scores before and after treatment. The NiPRF group found a significant difference between the BCTQ measurements at all time intervals (paired sample t-test; P < 0.001). In the splint group, there was a significant difference only between the basal-1st month and basal-3rd month (paired samples t-test; P < 0.001). The main effect of the time variable was statistically significant (ANOVA; P < 0.001), but the group variable was not. There was no correlation between the BCTQ results measured at any time and the electroneuromyelogragphy findings in either group. Conclusions: NiPRF effectively improves symptoms and functionality in patients with CTS for up to 3 months. Thus, NiPRF can be considered an easy, safe, and useful alternative treatment modality for CTS.

Ligand Based Pharmacophore Identification and Molecular Docking Studies for Grb2 Inhibitors

  • Arulalapperumal, Venkatesh;Sakkiah, Sugunadevi;Thangapandian, Sundarapandian;Lee, Yun-O;Meganathan, Chandrasekaran;Hwang, Swan;Lee, Keun-Woo
    • Bulletin of the Korean Chemical Society
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    • v.33 no.5
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    • pp.1707-1714
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    • 2012
  • Grb2 is an adapter protein involved in the signal transduction and cell communication. The Grb2 is responsible for initiation of kinase signaling by Ras activation which leads to the modification in transcription. Ligand based pharmacophore approach was applied to built the suitable pharmacophore model for Grb2. The best pharmacophore model was selected based on the statistical values and then validated by Fischer's randomization method and test set. Hypo1 was selected as a best pharmacophore model based on its statistical values like high cost difference (182.22), lowest RMSD (1.273), and total cost (80.68). It contains four chemical features, one hydrogen bond acceptor (HBA), two hydrophobic (HY), and one ring aromatic (RA). Fischer's randomization results also shows that Hypo1 have a 95% significant level. The correlation coefficient of test set was 0.97 which was close to the training set value (0.94). Thus Hypo1 was used for virtual screening to find the potent inhibitors from various chemical databases. The screened compounds were filtered by Lipinski's rule of five, ADMET and subjected to molecular docking studies. Totally, 11 compounds were selected as a best potent leads from docking studies based on the consensus scoring function and critical interactions with the amino acids in Grb2 active site.

Comparative Review of Current Clinical Trials on Abdominal Obesity (복부비만 관련 임상시험의 국내외 연구경향 고찰)

  • Lim, Je-Yeon;Song, Yun-Kyung;Lim, Hyung-Ho
    • Journal of Korean Medicine Rehabilitation
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    • v.20 no.2
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    • pp.63-77
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    • 2010
  • Objectives : It is known that abdominal obesity increases the possibility of cardiovascular diseases, early death, and metabolic syndrome including dyslipidemia and insulin resistance. Clinical trials have been under way to verify the effectiveness of treatment for abdominal obesity. The objective of this study is to set criteria about how effective oriental medicine and acupuncture are in abdominal obesity. Methods : I manually search "www.clinicaltrial.gov", 4 Korean medical databases and 4 Korean medical journals of abdominal obesity. Search terms used were "abdominal obesity" or "visceral obesity". In order to see detail review, searching was performed from 01, 01, 2005 to 11, 31, 2009. And I classified all the searched studies into design, intervention, purpose, end point, diseases, condition and etc. Results : 1. I could search total 67 trials in "www.clinicaltrial.gov". I found 9, 10, 13, 8, 6 clinical trial from 2005 to 2009 every year. 2. Test on both gender and adult or adult and senior have been most frequent. 3. Randomization clinical trial is 51 cases that occupied 96.2%. 38 cases use control group. 4. Body mass index(BMI) and waist circunference(WC) are major criteria of abdominal obesity clincal trial. WC, BMI, abdominal fat mass, body weight are measured at end point of abdominal obesity clincal trial. 5. I could search total 86 cases in domestic study. I found 15, 23, 23, 20, 5 cases from 2005 to 2009 every year. 6. Test on female and adult have been most frequent in domestic study. 7. Randomization clincal trial is only 2 cases that occupied 2.3%. 62 cases use control group in domestic study. 8. BMI, body fat percent, WC, visceral-subcutaneous fat ratio(VSR), waist-hip ratio(WHR) are criteria of abdominal obesity clincal trial in domestic study. WC, BMI, abdominal fat mass, body weight are measured at end point of abdominal obesity clincal trial in domestic study. Conclusions : To improve abdominal obesity study in traditional korean medicine, it is need to activate clinical trial, meta analysis, develope of clinical practice guidelines, co-works with conventional medicine and etc.

The effect of Chiljehyangbuhwan on the abdominal temperature in the primary dysmenorrhea patients (칠제향부환(七製香附丸)이 원발성(原發性) 월경통(月經痛) 환자(患者)의 복부(腹部) 온도(溫度)에 미치는 영향(影響))

  • Lee, Chang-Hoon;Cho, Jung-Hoon;Jang, Jun-Bock;Lee, Kyung-Sub;Yoon, Young-Jin
    • Journal of Oriental Medical Thermology
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    • v.4 no.1
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    • pp.29-38
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    • 2005
  • Purpose: We intended to observe the relations between Chiljehyangbuhwan and abdominal temperature according to primary dysmenorrhea severity. Methods: We selected the 100 primary dysmenorrhea patients by the screening tests (first screening test-inquiry, second screening test-clinical test, additionally WHR (Waist-to-Hip ratio) by Inbody 2.0). By the fixed blocked randomization and double blind method, Chiljehyangbuhwan or placebo was administered for 1 menstration period. Finally, 69 patients remainded. Before and after administration, we measured 4 points abdominal temperature (Chon-jung(CV17), Chung-wan(CV12), Kwan-won(CV4), Chung-guk(CV3)) by DITI (DOREX Inc., USA). And then we checked the difference of temperature $({\Delta}T)$ between CV17 and CV12 / CV17 and CV4 / CV17 and CV3 / CV12 and CV4 / CV12 and CV3. After that, we compared ${\Delta}T$ with primary dysmenorrhea severity evaluated by VRS (verbal rating scale) and MVRS (multidimensional verbal rating scale). In dysmenorrhea severity, we standardized scale score and 3-group-severity by score (mild, moderate, severe). For statistics, we used Pearson correlations and Spearman's rho correlations, SPSS 11.0 for windows. Results: In case of MVRS, Chiljehyangbuhwan was correlated to ${\Delta}T$ (CV12 and CV3 / CV12 and CV4). In case of VRS, Chiljehyangbuhwan was not correlated to ${\Delta}T$. Statistically they showed significant result (p<0.05). Conclusion: The primary dysmenorrhea patients showed that severity by MVRS was connected with ${\Delta}T$ (CV12 and CV3 / CV12 and CV4) after Chiljehyangbuhwan administration. So we can consider Chiljehyangbuhwan effects the abdominal temperature according primary dysmenorrhea severity.

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Mandibular changes during initial alignment with SmartClip self-ligating and conventional brackets: A single-center prospective randomized controlled clinical trial

  • Celikoglu, Mevlut;Bayram, Mehmet;Nur, Metin;Kilkis, Dogan
    • The korean journal of orthodontics
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    • v.45 no.2
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    • pp.89-94
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    • 2015
  • Objective: To test the null hypothesis that SmartClip self-ligating brackets are more effective than conventional brackets for initial mandibular alignment and identify influential factors. Methods: Fifty patients were randomly allocated to two equal treatment groups by using an online randomization program: self-ligating group (SmartClip brackets) and conventional group (Gemini brackets). The archwire sequence was standardized. Changes in anterior irregularity index, intercanine width, and intermolar width were assessed on plaster models at 8th and 16th weeks. Changes in incisor position and inclination were assessed on lateral cephalometric radiographs at 16 weeks. Intragroup and intergroup comparisons were performed with paired t-test and Student's t-test, respectively. Multiple linear regression was performed to identify variables affecting improvement in anterior ambiguity. Results: Data of 46 patients were analyzed; those missing an appointment (n = 2) or showing bracket breakage (n = 2) were excluded. Incisor inclination (p < 0.05), intercanine width (p < 0.05), and intermolar width (p > 0.05) increased at 8 and 16 weeks in both the groups; no significant intergroup differences were noted (p > 0.05). Initial anterior irregularity index and intercanine width change were significantly associated with improvement in anterior irregularity (p < 0.001). Conclusions: The null hypothesis was rejected. Bracket type has little effect on improvement in anterior ambiguity during initial mandibular alignment.

Effects of I-razin in Overweight Children (과체중인 소아에 있어서 아이라진 복용의 효과)

  • Cho, Yu-Jeong;Kim, Eun-Joo;Yang, You-Jung;Song, Mi-Yeon
    • Journal of Korean Medicine for Obesity Research
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    • v.10 no.2
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    • pp.17-25
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    • 2010
  • Objectives This study was performed to figure out the effects of I-razin in overweight children without any exercise or specific diet. Methods Twenty-eight children those who were diagnosed overweight have been recruited. They were randomly assigned treatment or control group under block randomization. Treatment group were treated with I-razin for 8 weeks, and control group were treated with placebo medication under same conditions. Anthropometry, fat computed tomography and blood test have been done before and after the treatment. Results Eleven subjects in treatment group and seventeen in control group were evaluated. BMI, waist circumference, glucose, total cholesterol, and triglyceride were decreased in the treatment group. And reduction of BMI, glucose, and triglyceride in the treatment group were greater than control group. But there was no statistically significance. No side effects have been notice during the study period and no adverse effect on liver has been observed. Conclusion This study could not demonstrate effect of I-razin compared with control group. However, treatment group has a tendency of weight loss without side effect. Additional studies with large population are thought to be necessary to clarify the effect of I-razin.

The Effect of Horticultural Activities Program on Emotional Intelligence and Stress Coping in Nursing College Student (원예활동프로그램이 간호대학생의 정서지능과 스트레스 대처에 미치는 효과)

  • Yang, Kyung-Mi;Park, Hyun-Jung
    • Journal of the Korea Convergence Society
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    • v.9 no.2
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    • pp.267-276
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    • 2018
  • The purpose of this study was to verify the effectiveness of horticultural activities program for 4th grade nursing students' emotional intelligence and stress coping. The study method was a non-equivalent control group pretest-posttest design. Participants were recruited with 4th grade nursing students from two nursing colleges. They were assigned to the experimental group (n=29) or the control group (n=30) using a computerized blocked randomization. Horticultural activities program was consisted of 10 sessions which were 2 times a week for 80 mins at each session during 5 weeks. Pretest and posttest were used to measure emotional intelligence and stress coping using the same structured questionnaires. Data was analyzed using frequency analysis, descriptive statistics, ${\chi}^2-test$, t-test, Fisher's exact test, Kolmogorov-Smirnov, independent t-test and paired t-test. The result showed a significant difference that the experimental group's emotional intelligence(t=-3.33, p=.002) and stress coping(t=-2.35, p=.023) score was higher than the control group's. The results of this study suggests that the horticultural activities program is effective in terms of emotional intelligence and stress coping for $4^{th}$ grade nursing students.

Quercus Brantii Lindl. Vaginal Douche Versus Clotrimazole on Vaginal Candidiasis - A Randomized Clinical Trial -

  • Moshfeghy, Zeinab;Asadi, Khadegeh;Akbarzadeh, Marzieh;Zare, Atefeh;Poordast, Tahereh;Emamghoreishi, Masoumeh;Najib, Fatemeh S.;Sayadi, Mehrab
    • Journal of Pharmacopuncture
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    • v.21 no.3
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    • pp.185-194
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    • 2018
  • Objectives: Vaginal Candidiasis with an approximate prevalence of 30% is the second cause of vaginal infections. Antifungal azole is the first treatment for Vaginal Candidiasis; however, some side effects have been reported for this chemical medicine. Based on the antifungal activity of Inner Stratum of Quercus Brantii (Q. Brantii), the aim of our study was to compare the effects of vaginal douche of Q. Brantii extract and clotrimazole on vaginal candidiasis symptoms before and after the treatments, in women. Methods: 89 non-pregnant women with positive KOH test which is capable of identifying the presence of hyphae and mycelium by adding KOH (10%), and a positive vaginal candidiasis culture were randomly divided into two experimental groups, using permuted block randomization method. One group received clotrimazole vaginal cream (1%) and the other group received vaginal douche of Q. Brantii extract. Groups were treated for 7 days and KOH tests and cultures were evaluated again. Data were analyzed via chi-square and independent t-test, using SPSS software. Results: According to the results, there were no significant differences between experimental groups for demographic characteristics like age (p=0.403), BMI (p=0.911), educational levels (p=0.862) and contraceptive methods (p=0.702). Moreover, significant differences were seen in vaginal discharge between the groups after the treatments (P=0.043). Conclusion: The results suggested that the therapeutic effect of vaginal douche of Q. Brantii extract was approximately similar to that of clotrimazole vaginal cream.