Computational study of quercetin effect on pre-apoptotic factors of Bad, Bak and Bim

Introduction: Quercetin is an effective compound which is found in many medicinal plants. Quercetin antioxidant properties against cancerous tumors and apoptosis induction have been demonstrated. This study is aimed to investigate the molecular dynamics of quercetin with regard to activating the pre-apoptotic factors such as Bim, Bak, and Bad using simulation software.Methods: In this study, the thermodynamic properties of flavonoid molecule of quercetin on three important factors in apoptotic pathway such as Bim, Bak, and Bad were investigated. After the three-dimensional structure of these molecules was obtained from NCBI and simulation was done by Gromacs software, docking stages were performed by AutoDock software and then the molecular dynamics of the complexes were investigated by Gromacs software.Results: The number of hydrogen bonds between quercetin and Bad was higher than Bak and Bim, which causes Bad to have lower energy than Bak and Bim. Mean root-mean-square deviation at 10 ns of simulation increased for Bad and Bak and decreased for Bim in quercetin presence. Root-mean-square fluctuation investigations indicated that Bim had the highest flexibility in quercetin presence compared to free state.Conclusion: Computational studies indicated that quercetin could have a greater effect on Bad compared to Bak and Bim. However it is necessary to investigate the effect mechanism of quercetin on these three pre-apoptotic factors in experimental studies

Effects of Hydro-alcoholic Extract from Arctium lappa L. (Burdock) Root on Gonadotropins, Testosterone, and Sperm Count and Viability in Male Mice with Nicotinamide/ Streptozotocin-Induced Type 2 Diabetes

Background: Reproductive dysfunction is a complication of diabetes. Arctium lappa (burdock) root has hypoglycemic and antioxidative properties, which are traditionally used for treatment of impotence and sterility. Therefore, the aim of this study is to investigate the effects of its hydro alcoholic extract on gonadotropin, testosterone, and sperm parameters in nicotinamide/ streptozotocin-induced diabetic mice. Methods: In this experimental study, 56 adult male Naval Medical Research Institute (NMRI) mice (30–35 g) were randomly divided into seven groups: control, diabetes, diabetes + glibenclamide (0.25 mg/kg), diabetes + extract (200 or 300 mg/kg), and extract (200 or 300 mg/kg). Diabetes was induced with intraperitoneal injection of nicotinamide (NA) and streptozotocin (STZ). Twenty-four hours after the last extract and drug administration, serum samples, testes, and cauda epididymis were removed immediately for experimental assessment. Results: Body weight, serum luteinizing hormone (LH), follicle stimulating hormone (FSH), and testosterone levels, and sperm count (P < 0.05) and viability (P < 0.01) decreased in diabetic mice. Administration of glibenclamide significantly improved these reductions in diabetic animals (P < 0.05). However, the hydro alcoholic extract (300 mg/kg) enhanced sperm viability only in diabetic mice (P < 0.01). In addition, this dose of extract increased sperm count, LH, FSH, and testosterone in nondiabetic animals compared with the control group (P < 0.05). Conclusion: The results indicate that applied burdock root extract has anti-infertility effects in nondiabetic mice. Hence, this part of the A. lappa plant has an effect on the health of the reproductive system in order to improve diabetic conditions

An investigation on the helminth parasites of Caspian turtle (Mauremys caspica) with a taxonomic note on recovered Falcaustra Lane, 1915 (Nematoda: Kathlaniidae) and Spiroxys Schneider, 1866 species (Nematoda: Gnathostomatidae)

In this study, the digestive tracts of the Caspian turtles (Mauremys caspica) were investigated for the presence of helminth infections. Specimens of roundworms were recovered from the large intestine and stomach of the Caspian turtles. The morphologic measures revealed the infection with nematodes of the genus Falcaustra and Spiroxys. However, some differences were found in the collected Falcaustra specimens compared to the previous descriptions. In parallel, samples were analyzed by sequencing of the ribosomal gene targets. The phylogenetic analysis showed that the Falcaustra species as members of superfamily Cosmocercoidea were grouped with some members of Ascaridoidea and Spiruroidea. Despite the significant morphologic differences, Spiroxys species formed a sister group with ascaroid and cosmocercoid roundworms. Therefore, our molecular findings revealed that the taxonomic position of both nematodes need be revised

The study of apoptosis-inducing effects of three pre-apoptotic factors by gallic acid, using simulation analysis and the comet assay technique on the prostatic cancer cell line PC3

Background: In this study, we demonstrated the effects of the Gallic Acid (GA) molecule on the prostate cancer cells line PC3 using the comet assay (Alkaline electrophoresis) technique and its effects on some important apoptotic factors including BAD (Bcl-2-Associated Death promoter), BAK (Bcl-2 homologous Antagonist/Killer), and BIM (Bcl-2-like protein 11) via simulation analysis by using the Auto Dock and Gromacs software. Methods: Following the MTT assay on the PC3 cells, and determining IC50, we used three concentrations of GA to around IC50 to treat PC3 cells. 100 comet pictures were obtained by alkaline electrophoresis and have been analysed with the CASP version 1.2.2 software; all the results were thereafter analysed by the SPSS version 21 statistical software. Results: The IC50 value for GA was determined to be 35 µM. The ratio of tail to head in alkaline electrophoresis for the three concentrations below the IC50 of GA in 25, 30, and 35 µM were measured as 24.7 (2.7), 44.5 (1.8), and 57.3 (1.3) percent, respectively. The results of the preapoptotic factors (BAD, BAK, and BIM) in the performed simulation in the absence and presence of GA showed that the GA protein causes the structural instability in the BAD protein, and the effect of GA can be explained by the creation of hydrogen bonds with proteins. Conclusion: GA is a polyphenol compound in plants that can suppress cell growth and induce apoptosis in PC3 cells in prostate cancer in the range of IC50 concentrations. The apoptotic properties of GA induce pre-apoptotic factors

Effect of breast cancer prevention program on the awareness and performance of female high school students

Background. Breast cancer (BC) is the most common type of cancer in women and the most common cancer among women in Iran. The lack of awareness and of an early-detection program in this developing country is the main reason for the escalating morbidity and mortality. Objectives. The aim of this study was to assess the impact of a BC prevention program on the awareness and behavior of female high school students in Abadeh, Iran. Material and methods. This study was a quasi-experimental study. The sample consisted of 220 female students who were selected by the multi-stage sampling method and divided into two groups: intervention and control. The required data were collected by a researcher-designed questionnaire and then analyzed by SPSS 17 software using descriptive analytical tests . Results. There was no significant difference in awareness and behavior scores between the two groups before the intervention (p > 0.05), but after the intervention the mean scores of those variables in the test group had increased significantly (p < 0.05). A Spearman correlation test showed that the correlation between the variables (awareness and behavior) was significant and direct (p < 0.001, r = 0340). Conclusions. Given the effect of educational programs on the awareness and behavior of students, the results of this study can be effective in attracting the attention of health officials and making them aware of the importance of providing training programs on BC through educational programs in schools. Keywords Author Keywords:breast neoplasms; awareness; students; risk factor

Diffusion Models for Medical Image Analysis: A Comprehensive Survey

Denoising diffusion models, a class of generative models, have garnered immense interest lately in various deep-learning problems. A diffusion probabilistic model defines a forward diffusion stage where the input data is gradually perturbed over several steps by adding Gaussian noise and then learns to reverse the diffusion process to retrieve the desired noise-free data from noisy data samples. Diffusion models are widely appreciated for their strong mode coverage and quality of the generated samples despite their known computational burdens. Capitalizing on the advances in computer vision, the field of medical imaging has also observed a growing interest in diffusion models. To help the researcher navigate this profusion, this survey intends to provide a comprehensive overview of diffusion models in the discipline of medical image analysis. Specifically, we introduce the solid theoretical foundation and fundamental concepts behind diffusion models and the three generic diffusion modelling frameworks: diffusion probabilistic models, noise-conditioned score networks, and stochastic differential equations. Then, we provide a systematic taxonomy of diffusion models in the medical domain and propose a multi-perspective categorization based on their application, imaging modality, organ of interest, and algorithms. To this end, we cover extensive applications of diffusion models in the medical domain. Furthermore, we emphasize the practical use case of some selected approaches, and then we discuss the limitations of the diffusion models in the medical domain and propose several directions to fulfill the demands of this field. Finally, we gather the overviewed studies with their available open-source implementations at https://github.com/amirhossein-kz/Awesome-Diffusion-Models-in-Medical-Imaging.Comment: Second revision: including more papers and further discussion

The Effects of Thymoquinone on Viability, and Anti-apoptotic Factors (BCL-XL, BCL-2, MCL-1) in Prostate Cancer (PC3) Cells: An In Vitro and Computer-Simulated Environment Study

Purpose: Since active plant ingredients can induce apoptosis in many tumors, in this study we evaluate the apoptotic effects of thymoquinone (TQ) on PC3 cells. Also, we predicted the interaction of TQ with BCL-XL, BCL-2, and MCL-1anti-apoptotic factors by computer-simulated environment. Methods: PC3 cells were treated with different concentrations of TQ (0- 80 µM) and IC50 was determined using 3-(4, 5-dimethylthiaztol-2-yl)-2, 5-diphenyltetrazolium bromide (MTT) assay. Apoptotic and cytotoxicity effects of TQ were analyzed using flowcytometry and comet assay, respectively. Changes in energy and the molecular interactions of TQ with BCL-XL, BCL-2 and MCL-1 anti-apoptotic factors were investigated using simulation. Results: IC50 value was 40 µM. TQ led to the destruction of the genome of PC3 cells and inducing apoptosis. Molecular dynamics (MD) revealed that the root mean-square deviation (RMSD), root mean square fluctuation (RMSF), radius of gyration (Rg), and the number of hydrogen and hydrophobic bonds between TQ and residues of BCL-2, BCL-XL and MCL-1were significantly (P<0.001) changed. TQ makes a more stable and stronger connection with BCL-XL compared to BCL-2 and MCL-1 and inhibits BCL-XL non-competitively. Conclusion: Our results demonstrated that TQ not only led to apoptosis, at least partly, due to reduction in the Coil, Turn, and Bend structure of BCL-XL but also caused a decrease in the Rg and RMSD value of BCL-XL, MCL-1, and BCL-2. Keywords: Thymoquinone, Apoptosis, Cancer, Simulatio

Investigation of the Performance of Zeolitic Adsorbent Modified with Cu Nanoparticles for Desulfurization of Hydrocarbon Fuel

Sulfur is one of the elements in fossil fuels that is converted to sulfur dioxide, which is one of the most important air pollutants, when burned in a car engine. In the present study, the adsorption capacity of an organic sulfurized compound from a diesel fuel model containing 300 ppm thiophene was evaluated using x13 zeolite modified with 3% by weight of copper metal. Moreover, the effect of three parameters of contact time (15, 30, 60, and 120 min), adsorbent value (0.5, 1, 2.5 and 3.5 g) and temperature (25, 40, 50 and 60 °C) was assessed in a discontinuous system. In order to activate the adsorbent surface cations, x13 zeolite was washed with deionized water and 0.1 M copper nitrate salt and then copper nanoparticles were loaded on it. The maximum adsorption capacity was 2.5 g of adsorbent at 60 min at room temperature, and the amount of thiophene for adsorption modified with copper nanoparticles increased from 300 to 138 ppm. The adsorption results showed that an increase of more than 2.5 g of adsorbent would not cause a significant change in the adsorption efficiency. In addition, FT-IR, SEM and N2 physisorption studies showed that the adsorbent would maintain its regular structure after nanoparticle loading. Finally, the modified zeolite showed better performance for desulfurization of the diesel fuel model

Sexual Function and Factors Affecting Menopause: A Systematic Review.

The purpose of this review study is to evaluate sexual function and its effective factors in menopause. A systematic review was conducted according to the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) guidelines. The key words of "menopause," "postmenopause," "postmenopausal," "premenopause," "pre-menopausal period," "sexual function," "sexual health," "sexuality," "sexual and gender disorders," "sexual development," "sexual dysfunction," "sexual disorders," "sexual behavior and "sexual activity" were used in combination with the Boolean operators OR and AND. After reviewing the selected articles, 27 papers were selected based on the criteria for entering the study and the goals set. The results of the reviewed articles showed that, in the physical domain, the factors affecting sexual function can be mentioned, age, hormonal changes, medical problems and reproductive history. Sexual disorders in menopause can be affected by some of the individual and social characteristics and psychological problems. Considering the fact that many psychological and social injuries occur in this period following sexual disorders; therefore, policies and programs for improving the quality of life of women in menopause should be aimed at eliminating sexual dysfunction, correcting attitudes and negative emotions and help to women for more comfortable in menopause. KEYWORDS: Menopause; Sexual behavior; Sexual dysfunctions; Sexual healt