• 제목/요약/키워드: Randomization test

검색결과 51건 처리시간 0.024초

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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    • 제35권7호
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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.

공간적 가중을 이용한 강화 유무에 따른 3주간 수축-이완 중재가 넙다리뒤근 단축 대상자의 유연성과 균형능력에 미치는 효과 (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)

  • 김용훈;박두진
    • PNF and Movement
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    • 제20권3호
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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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    • 제37권1호
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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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    • 제33권5호
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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.

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

  • 임제연;송윤경;임형호
    • 한방재활의학과학회지
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    • 제20권2호
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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.

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) (The effect of Chiljehyangbuhwan on the abdominal temperature in the primary dysmenorrhea patients)

  • 이창훈;조정훈;장준복;이경섭;윤영진
    • 대한한방체열의학회지
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    • 제4권1호
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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
    • 대한치과교정학회지
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    • 제45권2호
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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.

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

  • 조유정;김은주;양유정;송미연
    • 한방비만학회지
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    • 제10권2호
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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.

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

  • 양경미;박현정
    • 한국융합학회논문지
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    • 제9권2호
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    • pp.267-276
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    • 2018
  • 본 연구의 목적은 원예활동프로그램이 4학년 간호대학생의 정서지능과 스트레스 대처에 미치는 효과를 검증하고자 하였다. 연구방법은 비동등성 대조군 전후 설계의 유사실험연구(Non-equivalent control group pretest-posttest design)이다. 연구대상은 G지역의 2개 대학의 4학년 간호대학생으로 실험군 29명, 대조군 30명이었다. 프로그램은 1회당 80분, 주 2회씩, 5주간 총 10회기로 운영하였다. 사전 사후조사는 동일하게 구조화된 설문지를 사용하여 정서지능, 스트레스 대처를 측정하였다. 자료분석은 SPSS WIN 21.0 프로그램을 이용하여 빈도분석(Frequency analysis), 기술통계(Descriptive statistics), ${\chi}^2-test$, t-test, Fisher's exact test, Kolmogorov-Smirnov, independent t-test, paired t-test를 이용하였다. 연구결과는 원예활동프로그램을 적용 후 정서지능(t=-3.33, p=.002)과 스트레스 대처(t=-2.35, p=.023)는 두 집단 간에 유의한 차이가 있었다. 이 연구 결과를 통해 원예활동프로그램은 4학년 간호대학생의 정서지능과 스트레스 대처 향상에 효과가 있음을 확인하였다.

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
    • 대한약침학회지
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    • 제21권3호
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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.