ABSTRACT The aim: To study the structure of cognitive impairment in patients who were hospitalized with moderate to severe COVID-19 pneumonia. Investigate the correlation with demographic, biochemical parameters, as well as the emotional state of the patient. Materials and methods: Cognitive functions were assessed using the MOCA test.PHQ-9 depression and GAD-7 anxiety questionnaires were used to study psychopathological symptoms. Demographic, clinical and laboratory data were extracted from medical records Results: Cognitive performance is impaired in 94% of patients with COVID-19. This allows to suggest that COVID-19 has a serious impact on cognition, especially in elder people. Among different domains only visuospatial and executive functioning, abstract thinking, attention and delayed recall were severely impaired, while other domains stayed relatively intact. Patients after COVID-19 also tend to have a mild depressive and anxiety state. Anxiety levels were higher than depressive levels, but not connected to cognitive functioning. Also, there was seen a positive correlation between anxiety and pO2 and negative between anxiety and comorbid cardiac pathology. However, this requires further studies to reveal. Another interesting finding was non-linear relationship between cognitive performance and depression, that allows to suggest rapidly evolving depressive mood in persons with severe cognitive impairment after COVID-19. Cognitive and emotional state of patients after COVID-19 was also highly connected with working status. Conclusion: Significant cognitive impairment was presented in almost all patients with COVID-19. There was a selective impairment in domains of visuospatial/ executive functioning, abstract thinking, attention and delayed recall.

Pericardial effusion (PE) can occur in inflammatory and infectious diseases; postoperatively, in pulmonary arterial hypertension, renal failure, as well as in malignant diseases that can affect the pericardium and manifest as a paraneoplastic syndrome (1). On the other hand, the presence of blood in the pericardial cavity – hemopericardium – is more commonly seen in aortic dissection, cardiac rupture, trauma, or after invasive procedures (2) and less frequently in malignant cardiac tumors. The late diagnosis of content in the pericardial cavity, often due to the absence of specific symptoms, can lead to delayed detection and preclude radical treatment in the case of tumors or neoplastic heart lesions. However, early diagnosis and tumor resection can significantly improve patients' condition and allow for life-extending chemotherapy (3). This case highlights the critical importance of early detection in pericardial effusion. The purpose of presenting this clinical case is to increase awareness and alertness among family doctors, therapists, cardiologists, cardiothoracic surgeons, and radiologists to exclude neoplastic involvement of the heart when hydro- or hemopericardium is detected.

Computer-aided rational drug design encompasses the identification of potential biological targets for drug candidates followed by an intensive search ensues to find a drug-like small molecules that can modulate the function of the identified macromolecule resulting in a therapeutic effect. This approach becomes possible due to the availability of information about the three-dimensional chemical structures of ligands and biomolecules. Thus, to be efficient, computer-aided drug design (CADD) techniques including both ligand- and structure-based, must be accurate with the structural data manipulation as the knowledge of macromolecules and ligands structures as well as unbound and receptor-bound conformations is the precondition of the vital importance for the application of 3D computational molecular modeling approaches.

The aim of the current work was to analyze, systematize and summarize the recent literature data discussing conformational ensembles of small organic molecules, the main approaches and techniques applied for their generation and the conformational sampling of drug-like molecules significance in modern computer-aided drug design. 

 Three-dimensional spatial arrangements of atoms that organic molecules can adopt are known as conformations, their diversity is ensured by rotational bonds, changes in bond lengths, bond angles and torsions, interconversion between different conformations can be achieved by rotations about formally single bonds. Thus, a set of stable spatial geometric structures of a molecule with the constant connectivity matrix constitutes the set of its conformations. In their turn, conformational ensembles are represented by the sets of equilibrium conformations existing under certain thermodynamic conditions in defined environmental medium. Consequently, thorough conformational analysis is critically important in many areas of research, such as drug discovery, protein engineering, and the design of catalysts.

Conformer generation leading to exploring and sampling the low energy conformational space of drug-like molecules continues to be a relevant task focusing on ligands structure pre-organization with the aim to minimize energetic penalties associated with undesired flexibility, sub-optimal arrangement of functional groups interacting with the protein binding site or unwanted internal stabilization.

Drug-like molecules can adopt a great number of conformations depending on the amount of rotatable bonds, angels and torsions flexibility and the rigidity properties of their rings and cycles. It was shown that even the solid-state ligands bounded to corresponding biotargets can possess conformational diversity. Structural data drawn from the Protein Data Bank (PDB) revealed that the same ligand precented in at least two different protein−ligand structures may be found in multiple conformations which differed significantly (RMSD > 2 Å) [1]. This means that a small molecule must adopt the bioactive conformation that is the conformation which can be recognized by the receptor and produce the biological response. Bioactive conformations construction for flexible small organic molecules is challenging and complex problem in modern drug design reasoned by the large number of degrees of freedom even for relatively small ligands.

UDC 611.132.2–055.1–071.3

The size of the coronary arteries is an essential parameter in assessing coronary anatomy, which depends on age and anthropometric indicators. However, there is limited data on the correlation between biometric indicators and coronary arteries’ size among Ukrainian residents. The purpose of the study is to evaluate the size of the coronary ostia and study their correlation with age, height, weight, body mass index, and body surface area in men with and without coronary artery disease using coronary angiography. The study group consisted of 98 patients: 64 patients with and 34 patients without lesions of the coronary arteries (treated as healthy or within the norm). In patients with no coronary artery disease, the ostium of the left coronary artery is higher than that of the right coronary artery: 5.94±1.41 mm versus 5.09±1.36 mm, p=0.013. In men with coronary artery disease, the average parameters of the height of the left coronary artery (5.45±1.10 mm) are significantly more extensive than the height of the right coronary artery 4.91±1.05 mm (p=0.005). In the healthy group, a direct relationship of medium strength between the data of the height of the right coronary artery ostium and height was proven (r=+0.34, p=0.049), as well as an inverse relationship of medium strength between the value of the height of the right coronary artery ostium and age (r= -0.35, p=0.041). No correlation of age-anthropometric parameters with the value of the height of the ostium of the left coronary artery has been found. Relationships between the left coronary artery index and age, weight, and height have been established in men with coronary artery disease.

Abstract. The article examines the problem of ensuring the psychological stability of students during the war.  The level of psychological stability of the student in connection with his visit was analyzed.  A study was conducted using a survey of students of several universities in Ukraine.  The developed questionnaire made it possible to outline that most students feel anxiety and fear.  The influence of the psycho-emotional state during the war on the educational performance of students was determined.  There are ways to reduce the feeling of anxiety, tension, fear and directions of adjustment  of  the  psychological  climate  in  the  context  of  resistance  to  stressful  situations.  The object of this study is the psychological stability of students during university studies and studies under martial law.  The subject of the study is the peculiarities of the formation of psychological stability in students and the means of its formation. The purpose of the study is to determine the psychological  conditions  for  the  formation  of  students'  psychological  stability.    Factors  of stressogenicity and psychological stability of students in war conditions were studied. The  research  revealed  the  psychological  essence  of  stress  resistance  and  psychological resilience. On the basis of the survey, the mental state of students of higher education institutions during  the  war  was  analyzed.  The  methods  of  increasing  the  level  of  psychological  stability  of students  while  studying  during  the  war  are  considered.  Practical  recommendations  on  the formation  of  stress  resistance  and  psychological  stability  of  students  of  higher  education institutions during the war are presented.