Selection of Efficient Inhibitors for Caspas-9 according to Structure-Based Pharmacophore Screening Strategy and Molecular Dynamics Simulations

Caspases are enzymes which are the main pathways for apoptosis. Any irregulation in their functions causes increase or decrease in cell death, which result in autoimmune disease or cancer, respectively. In this study, structure-based pharmacophore drug discovery method as a virtual screening was used to discover selective inhibitors for caspase-9. This enzyme is an initiator caspase that is the main pathway in Alzheimer’s disease. A pharmacophore model was developed by investigating essential interactions among the reported potent inhibitors employing a docking analysis methodology. Applying pharmacophore virtual screening, nine compounds from both National Cancer Institute (NCI), and ZINC databases were filtered as potent inhibitors of caspase-9. The efficiency of the discovered compounds was further investigated by docking studies.HIGHLIGHTS•Caspase-9 is an important enzyme for apoptosis and its activity is pivotal in cell death.•A computational design of small molecular inhibitors for caspase-9 performed by structure-based pharmacophore model.•9 compounds from both National Cancer Institute (NCI) and ZINC databases were discovered as potent inhibitors

Assessment of salivary and serum antioxidant status in patients with recurrent aphthous stomatitis

Objective: The aim of this study was to determine the possible association of oxidant/antioxidant status and recurrent aphthous stomatitis (RAS). Study design: The study consis ted of thirty-one patients with RAS and thirty-two healthy controls from whom saliva and blood samples were collected. Superoxide dismutase (SOD), glutathione peroxidase (GSHPx) and catalase (CAT) were measured in erythrocytes and total antioxidant status (TAS) was measured in plasma and saliva. Results: Erythrocyte SOD activity was significantly lower in RAS patients in comparison to healthy controls (P=0.012). No significant differences were found in erythrocyte GSHPx, CAT activities, and salivary and plasma TAS between RAS patients and control subjects (p>0.1). Conclusion: Changes in SOD activity may be important in the inflammatory reactions observed in RAS, but other tested defense systems such as CAT and GSHPx do not seem to play a primary role in the aetiopathogenesis of RAS. Moreover, the antioxidant system in saliva and plasma is not as affected as in erythrocytes in RAS patients, and therefore it may not be considered an appropriate indicator of the body?s total antioxidant status

Dental caries in primary and permanent teeth in children's worldwide, 1995 to 2019: a systematic review and meta-analysis

Background: Early childhood caries (ECC) is a type of dental caries in the teeth of infants and children that is represented as one of the most prevalent dental problems in this period. Various studies have reported different types of prevalence of dental caries in primary and permanent teeth in children worldwide. However, there has been no comprehensive study to summarize the results of these studies in general, so this study aimed to determine the prevalence of dental caries in primary and permanent teeth in children in different continents of the world during a systematic review and meta-analysis. Methods: In this review study, articles were extracted by searching in the national and international databases of SID, MagIran, IranMedex, IranDoc, Cochrane, Embase, ScienceDirect, Scopus, PubMed, and Web of Science (ISI) between 1995 and December 2019. Random effects model was used for analysis and heterogeneity of studies was evaluated by using the I2 index. Data were analyzed by using the Comprehensive Meta-Analysis (Version 2) software. Findings: In this study, a total of 164 articles (81 articles on the prevalence of dental caries in primary teeth and 83 articles on the prevalence of dental caries in permanent teeth) were entered the meta-analysis. The prevalence of dental caries in primary teeth in children in the world with a sample size of 80,405 was 46.2% (95% CI: 41.6–50.8%), and the prevalence of dental caries in permanent teeth in children in the world with a sample size of 1,454,871 was 53.8% (95% CI: 50–57.5%). Regarding the heterogeneity on the basis of meta-regression analysis, there was a significant difference in the prevalence of dental caries in primary and permanent teeth in children in different continents of the world. With increasing the sample size and the year of study, dental caries in primary teeth increased and in permanent teeth decreased. Conclusion: The results of this study showed that the prevalence of primary and permanent dental caries in children in the world was found to be high. Therefore, appropriate strategies should be implemented to improve the aforementioned situation and to troubleshoot and monitor at all levels by providing feedback to hospitals