The global pandemic situation caused by rare viral pneumonia occurs in late December 2019 in Wuhan, China, which we now recognize as COVID-19. The molecular docking was used to identify potential phytoconstituents of <i>Moringa oleifera</i> and reference drug hydroxychloroquine on SARS-CoV-2 main protein by using AutoDock 4.2.6 and Auto dock Vina. All the physicochemical and bioactive parameters (ADME, toxicity study, receptor interaction, PASS analysis, drug-likeness) were determined using different online validated software. The binding energy of all SAR-CoV-2 proteins with selected phytoconstituents of <i>Moringa oleifera</i> were found to be beta carotene, vitamin E; myricetin, quercetin showed the highest binding affinity with all interacting proteins comparable with other drugs and reference drug hydroxychloroquine as an order: beta carotene > myricetin > quercetin > vitamin E> hydroxychloroquine>quinic acid. The MD simulation analysis of viral protein (6MOJ) with beta carotene, vitamin E and myricetin demonstrated strong stability at 300 K. All three complexes exhibit persistent RMSDs value (0.25 – 1.5 Å) of protein side-chain Cα atoms during the 3 ns MD simulation time scale. The minor changes of all three ligands with 2 different viral proteins increasing the compactness of ligands with protein in radius of gyration suggested the strong structural activity of ligands and the least fluctuation during the MD simulation (31.2, 30.0 and 31.2), respectively. In the present study revealed that all the active constituents of <i>Moringa oleifera</i> show good binding affinity, but beta carotene and myricetin have an excellent affinity with SARS-CoV-2 proteins respectively.
INTRODUCTION: Tuberculosis is an infectious disease caused by Mycobacterium tuberculosis and is one of the major public health problems in developing countries like Nepal. Despite the availability of effective tuberculosis treatment regimens, patients must take a combination of anti-tubercular drugs for at least six months and may endure numerous side effects, making treatment compliance exceedingly difficult to maintain. The primary objective of the study was to assess the adherence rate to anti-tubercular agents and to find the prevalence of adverse drug reactions to the anti-tubercular therapy. MATERIALS AND METHODS: This study was an observational study conducted in the DOTS centers of UCMS-TH, Bhairahawa, and Lumbini Provincial Hospital Butwal. A semi-structured questionnaire was used to collect data from 170 participants to determine the adherence rate to anti-tubercular therapy and the incidence of associated adverse drug reactions. Statistical Package for Social Sciences (SPSS Version 20) program was used to enter and analyze the data. The association between adherence and other variables was established using the Chisquare test. RESULTS: The adherence rate to anti-tubercular therapy was found to be 159 (93.5%). The major reasons for non-adherence include forgetfulness 8 (72.72%) followed by adverse effects 2 (18.18%) and transport difficulty in reaching the health facility 1 (9.1%). The prevalence of adverse drug reactions was 58 (34.12%) (27.1 - 41.2 at 95% Confidence Interval). Adherence was significantly associated with the experience of adverse effects, literacy, marital status, area of residence, and age of the participants. CONCLUSIONS: The adherence rate to anti-tubercular therapy was very high, which can be the primary determinant of tuberculosis treatment success.
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