Identification of Leading Compounds from Euphorbia neriifolia (Dudsor) Extracts as a Potential Inhibitor of SARS-CoV-2 ACE2-RBDS1 Receptor Complex: An Insight from Molecular Docking ADMET Profiling and MD-simulation Studies.

Coronavirus disease-19 (COVID-19) are deadly and infectious disease that impacts individuals in a variety of ways. Scientists have stepped up their attempts to find an antiviral drug that targets the spike protein (S) of Angiotensin converting enzyme 2 (ACE2) (receptor protein) as a viable therapeutic target for coronavirus. The most recent study examines the potential antagonistic effects of 17 phytochemicals present in the plant extraction of Euphorbia neriifolia on the anti-SARS-CoV-2 ACE2 protein. Computational techniques like molecular docking, absorption, distribution, metabolism, excretion, and toxicity (ADMET) investigations, and molecular dynamics (MD) simulation analysis were used to investigate the actions of these phytochemicals. The results of molecular docking studies showed that the control ligand (2-acetamido-2-deoxy-ß-D-glucopyranose) had a binding potential of -6.2 kcal/mol, but the binding potentials of delphin, ß-amyrin, and tulipanin are greater at -10.4, 10.0, and -9.6 kcal/mol. To verify their drug-likeness, the discovered hits were put via Lipinski filters and ADMET analysis. According to MD simulations of the complex run for 100 numbers, delphin binds to the SARS-CoV-2 ACE2 receptor's active region with good stability. In root-mean-square deviation (RMSD) and root mean square fluctuation (RMSF) calculations, delphinan, ß-amyrin, and tulipanin showed reduced variance with the receptor binding domain subunit 1(RBD S1) ACE2 protein complex. The solvent accessible surface area (SASA), radius of gyration (Rg), molecular surface area (MolSA), and polar surface area (PSA) validation results for these three compounds were likewise encouraging. The convenient binding energies across the 100 numbers binding period were discovered by using molecular mechanics of generalized born and surface (MM/GBSA) to estimate the ligand-binding free energies to the protein receptor. All things considered, the information points to a greater likelihood of chemicals found in Euphorbia neriifolia binding to the SARS-CoV-2 ACE2 active site. To determine these lead compounds' anti-SARS-CoV-2 potential, in vitro and in vivo studies should be conducted. How to cite this article: Islam MN, Pramanik MEA, Hossain MA, et al. Identification of Leading Compounds from Euphorbia Neriifolia (Dudsor) Extracts as a Potential Inhibitor of SARS-CoV-2 ACE2-RBDS1 Receptor Complex: An Insight from Molecular Docking ADMET Profiling and MD-simulation Studies. Euroasian J Hepato-Gastroenterol 2023;13(2):89-107.

Anxiety and depression among gastroenterologists: an online survey in Bangladesh.

INTRODUCTION: Anxiety and depression negatively affect physicians' performance, leading to them make errors in service providing. Reports regarding the prevalence of anxiety and depression among specialist physicians are limited. AIM: To assess the prevalence of anxiety and depression among gastroenterologists in Bangladesh. MATERIAL AND METHODS: This cross-sectional study was conducted among gastroenterologists in Bangladesh. Survey questionnaires, including general information and the Hospital Anxiety and Depression Scale (HAD), were sent to the gastroenterologists' email addresses. Responses were collected and analysed. RESULTS: Out of 166 gastroenterologists, 63 (37.9%, mean age: 49.77 ±8.0 years, 96.8% male, mean service length: 20.2 ±8.0 years, mean working length as specialists 13.2 ±7.2 years) responded. In this series, symptom scores of 16 (25.4%) and 13 (20.7%) respondents were consistent with anxiety and depression, respectively. Nine (14.2%) respondents had symptoms of both anxiety and depression. Anxiety was significantly more prevalent among gastroenterologists of the 41-50-years age group (p = 0.007), and those who were working as specialists less than or equal to 5 years (p = 0.014). Depression was also more common among gastroenterologists in the 41-50-years age group 7 (24.1%), doing government service 10 (19.6%), service length ≤ 15 years 5 (29.4%), and working as specialist less than or equal to 10 years 7 (31.8%), but the difference was not significant. CONCLUSIONS: Anxiety and depression are more prevalent among gastroenterologists than in the general population. Further studies should be done to determine the risk factors behind anxiety and depression among gastroenterologists so that adequate preventive measures can be taken.

Association of duodenal eosinophilia with Helicobacter pylori-negative functional dyspepsia.

BACKGROUND AND STUDY AIMS: The pathogenesis of functional dyspepsia (FD) is complex and still remains to be established. Recent studies support duodenal inflammation with increased infiltration of eosinophils and a higher level of systemic cytokines among patients with FD. These findings may help to understand the underlying pathophysiology of FD. The aim of this study was to evaluate the association between duodenal eosinophilia and FD. PATIENTS AND METHODS: A total of 84 patients (42 cases of FD and 42 subjects without dyspepsia as control, mean age 31 years, 56% female) were recruited for this prospective observational study. FD was diagnosed by validated Bangla version of the ROME III criteria. Patients with no symptoms of FD who were referred for upper gastrointestinal endoscopy for other reasons were included as control. Biopsy specimens were taken from the second part (D2) of the duodenum of all participants. The eosinophil count was quantitatively evaluated by hematoxylin and eosin staining and expressed in numbers per 5 HPF. The association between duodenal eosinophilia (defined as ≥22/5HPF a priori) and FD was assessed. RESULT: Significantly increased duodenal eosinophil count was found in patients with FD than patients without dyspepsia (p = 0.001). 57.1% of patients with FD had duodenal eosinophilia. A significant positive association was found between duodenal eosinophilia and FD (OR = 5.67, 95% CI 1.92-17.2, p = 0.001). A positive association was also observed between duodenal eosinophilia and postprandial distress syndrome (OR = 5.54, 95% CI 0.86-45.24, p = 0.036). A higher odds ratio was noticed among those who complain of early satiety. CONCLUSION: A significant positive association was found between duodenal eosinophilia and FD especially among those with postprandial distress syndrome. It requires further large scale multicenter studies to establish duodenal eosinophilia as a biomarker of FD.