Despite treatments and vaccinations, it remains difficult to develop naturally occurring COVID-19 inhibitors. Here, our main objective is to find potential lead compounds from the retrieved alkaloids with antiviral and other biological properties that selectively target the main SARS-CoV-2 protease (Mpro), which is required for viral replication. In this work, 252 alkaloids were aligned using Lipinski’s rule of five and their antiviral activity was then assessed. The prediction of activity spectrum of substances (PASS) data was used to confirm the antiviral activities of 112 alkaloids. Finally, 50 alkaloids were docked with Mpro. Furthermore, assessments of molecular electrostatic potential surface (MEPS), density functional theory (DFT), and absorption, distribution, metabolism, excretion, and toxicity (ADMET) were performed, and a few of them appeared to have potential as candidates for oral administration. Molecular dynamics simulations (MDS) with a time step of up to 100 ns were used to confirm that the three docked complexes were more stable. It was found that the most prevalent and active binding sites that limit Mpro’sactivity are PHE294, ARG298, and GLN110. All retrieved data were compared to conventional antivirals, fumarostelline, strychnidin-10-one (L-1), 2,3-dimethoxy-brucin (L-7), and alkaloid ND-305B (L-16) and were proposed as enhanced SARS-CoV-2 inhibitors. Finally, with additional clinical or necessary study, it may be able to use these indicated natural alkaloids or their analogs as potential therapeutic candidates.
Background
The COVID-19 is the greatest catastrophe of the 21st century that ravaged health, economy, and everyday life. Over 90% of the infected individuals in Bangladesh took home treatments following various approaches and consuming different medications. The study aims to identify the recovery measures and the medications used by COVID-19 patients at home.
Methods
An online-based, cross-sectional survey was conducted between 5 October 2020 and 5 January 2021 among the COVID-19 patients who did not seek care from hospitals and recovered at home. Participants from all the administrative divisions of Bangladesh were recruited via social media. After obtaining consent, subjects were enrolled to complete the questionnaire that included questions on demographic characteristics, clinical itinerary, non-pharmacological and pharmacological approaches.
Results
Of the 241 respondents, the majority were males (64.3%), aged 21-30 years (42.3%), and urban residents (65.6%). Fever (92.5%), cough (78.4%), and sore throat (62.7%) were the most common symptoms. Hypertension (17.3%), allergic rhinitis (15.3%), and asthma (15.3%) were the most prevalent pre-existing chronic conditions. Most of the respondents adopted some non-pharmacological approaches, such as inhaling steam/gargling warm water (75.1%), drinking any hot drink (85.9%), and consuming vegetables and fruits (67.6%) daily. Among the medicines consumed, paracetamol was the highest (97.1%), followed by antihistamines (77.6%) and antibiotics (61.4%) while corticosteroid, antiparasitic and antiviral drugs were less consumed drugs. Binary logistic regression found, living in the urban area, level of education and pre-existing diabetes were significant factors that impact recovery time from the COVID-19.
Conclusions
Most of the individuals experienced mild to moderate symptoms and used non-pharmacological approaches, while over-the-counter drugs were the most consumed medicines. Though these measures did not contribute significantly to recovery time, these can be used as a form of home management in the early stage to reduce the disease severity and may be effective for mild and moderate patients.
Background: The present study was aimed at investigating the prevalence of hypothyroidism in pregnant women in their first trimester in Chattagram, an iodine-sufficient area in Bangladesh. We also studied whether hypothyroidism in pregnancy has any correlation with high titres of anti-thyroid peroxidase (anti-TPO) antibodies and the occurrence of gestational diabetes mellitus.Methods: Our study included 100 pregnant women at their first antenatal checkup based on certain preselected criteria in two tertiary care hospitals in Chattogram. The levels of serum TSH, FT4, and anti-TPO were estimated to detect thyroid function from the collected blood sample. The oral glucose tolerance test was carried out between 24 and 28 weeks of gestational age. A standard predesigned proforma was used to record a detailed patient history and the findings of general physical examinations.Results: According to our results, thyroid disorder and GDM affect 19% and 13% of total pregnancies, respectively. Among TD patients, subclinical hypothyroidism (SCH) prevails the most (11%). The majority of the hypothyroid patients with a high titre of anti-TPO positivity (11%) indicate an autoimmune etiology (p<0.001). Furthermore, a statistically significant relationship (p<0.01) was established between hypothyroidism and GDM. No demographic data was observed to affect GDM and hypothyroidism.Conclusion: Thyroid disorders affect one in every six pregnant women in the southern part of Bangladesh. Moreover, hypothyroid pregnant women were found to be highly susceptible to GDM. Euthyroid women with a high titre of anti-TPO during their gestation should be closely monitored for the development of hypothyroidism and GDM.
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