Rating control of students knowledge and skills is the part of Bologna declaration of European Universitites. Optimal realization of rating system brings together the objectivity and the individual approach to student’s evaluation. Analysis of rating control possibilities in medical University and peculiarities of individual rating adaptation in the LMS Moodle are the objectives of this paper.LMS Moodle contains enough elements quantity for evaluation and allows sum up of learning course results. First level of rating system adaptation is various intervals for different course elements. Weight coefficients for learning tasks mean second one. Third rating adaptation level is the method of calculation of final rating score for a student. There is example of rating system in medical informatics course for medical and pediatric students in the paper. Organizational, technological and financial aspects of rating introducing in the medical education are discussed.
4-methyl-2,6-diisobornilphenol (dibornol) – a promising drug with a hemorheological activity. Glycophorin A is one of erythrocyte membrane proteins involved in the aggregation and possibly mediating rheological effects of dibornol.Objective: to conduct a modeling of the interaction dibornol and glycophorin A by AutoDock and HexServer programs.Material and methods. We used three-dimensional models of molecules dibornol and glycophorin A. Information on the three-dimensional model of glycophorin A was received from the database RCSB Protein Data Bank – 1AFO. Modeling the three-dimensional model of a dibornol (4-methyl-2,6- diisobornilfenol) was modeling by PRODRG Server.Results. This paper presents the results of computer modeling of interaction dibornol and glycophorin A by HexServer and AutoDock programs. We used the electrostatic properties of the molecule glycophorin A, site of interaction is position chain A VAL83, chain B – ALA82, GLY83, GLY86, THR87. The energy of binding was –6.73 kcal/mol by AutoDock program, HexServer – –2.89 kcal/mol. The charge of the molecular complex dibornol-glycophorin A decreased to –4.126 (the charge of the native molecule glycophorin A – –4.003).Conclusion. Integrated use of the program AutoDock and HexServer helps significantly reduce the time and computational resources in the modeling. The study identified the amino acids that may play a key role in the interaction with dibornol glycophorin A. This study has given us reason to believe that as a result of such interaction dibornol may prevent adhesion of red blood cells.
Introduction. The potential of a new compound in the ongoing drugs discovery process is initially explored using virtual instruments, where its activity is predicted based on its molecular structure.Aim. This study aimed to evaluate the pharmacokinetic parameters and possible toxicity of isobornyl compounds based on virtual tools.Material and Methods. Several free Internet resources were used to assess the absorption, distribution, metabolism, excretion (ADME), and toxicity (T) of 2,6-diisobornyl-4-methylphenol (1, Dibornol), 2-hydroxy-3-isobornyl-5-methylbenzaldehyde (2), and 2-((di-n-butylamino) methyl)-6-isobornyl-4-methylphenol (3). Pharmacokinetic properties were calculated on ADMETlab platform. Toxicity and physical properties were evaluated using TEST software based on the structure-property quantification models of organic substances according to structure–property principle. Web server ProTox_II was used for acute toxicity assessment.Results. Plasma protein binding degrees were 76,9% for (1), 85,9% for (2), and 91,8% for (3). All three compounds were capable of penetrating the blood-brain barrier. Dibornol was identified neither as a substrate nor as an inhibitor of P-glycoprotein unlike (2) and (3). The half-life of all compounds was short (about 2 hours); the clearance was slow (about 2 mL/min*kg). The study showed that (2) and (3) potentially exert the toxic effects during the developmental stage of the organism, while ADMETlab showed potential cardio- and hepatotoxicity for (2) and (3), respectively. All compounds had extremely low solubility in water, which affected the assessments of other indicators by TEST software. The ProTox_II server showed the extremely low toxicity LD50 for all compounds (toxicity class 5).
В экспериментах in vitro исследованы антирадикальная и гемореологическая активности производных, синтезированных на основе 2,6-диизоборнил-4-метилфенола (диборнола) и полисахаридов (инулин, карбоксиметилцеллюлоза, гидроксиэтилированный крахмал). Среди представленных соединений наибольшую антирадикальную активность в системе с водорастворимым стабильным радикалом ABTS·+ проявил полимер-конъюгат диборнол-гидроксиэтилированный крахмал. На модели гипервязкости крови in vitro полимер-конъюгат диборнол-гидроксиэтилированный крахмал в конечной концентрации 10–5 г/мл крови достоверно ограничивал повышение вязкости крови.
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