Isolation, structural elucidation and molecular docking studies against SARS-CoV-2 main protease of new stigmastane-type steroidal glucosides isolated from the whole plants of Vernonia gratiosa.

Phytochemical investigation of the whole plants of Vernonia gratiosa Hance. led in the isolation and identification of two new stigmastane-type steroidal glucosides (1-2), namely vernogratiosides A (1), and B (2). Their chemical structures were fully elucidated based on 1 D/2D NMR spectroscopic, HR-ESI-MS data analyses, and by producing derivatives by chemical reactions. The binding potential of the isolated compounds to replicase protein - main protease of SARS-CoV-2 were examined using the molecular docking simulations. Our results show that the isolated steroidal glucosides (1-2) bind to the substrate-binding site of SARS-CoV-2 main protease with binding affinities of -7.2 and -7.6 kcal/mol, respectively, as well as binding abilities equivalent to N3 inhibitor that has already been reported (-7.5 kcal/mol).

Upgrading nirmatrelvir to inhibit SARS-CoV-2 Mpro via DeepFrag and free energy calculations.

The first oral drug for the treatment of COVID-19, Paxlovid, has been authorized; however, nirmatrelvir, a major component of the drug, is reported to be associated with some side effects. Moreover, the appearance of many novel variants raises concerns about drug resistance, and designing new potent inhibitors to prevent viral replication is thus urgent. In this context, using a hybrid approach combining machine learning (ML) and free energy simulations, 6 compounds obtained by modifying nirmatrelvir were proposed to bind strongly to SARS-CoV-2 Mpro. The structural modification of nirmatrelvir significantly enhances the electrostatic interaction free energy between the protein and ligand and slightly decreases the vdW term. However, the vdW term is the most important factor in controlling the ligand-binding affinity. In addition, the modified nirmatrelvir might be less toxic to the human body than the original inhibitor.

Designing Potential Inhibitors of SARS-CoV-2 Mpro Using Deep Learning and Steered Molecular Dynamic Simulations

The COVID-19 pandemic raised an unprecedented race in biotechnology in search for effective therapies and a preventive vaccine. Scientists worldwide have been attempting to stop the viral infection by interfering with the biological function of the SARS-CoV-2 main protease (Mpro), a critical protein required for viral transcription and replication during infection. In this study, we employed an effective approach integrating deep learning model calculations and steered molecular dynamic simulations to generate highly promising inhibitors of SARS-CoV-2 Mpro. First, using deep learning calculations, a natural molecule that was identified as a potential inhibitor of SARS-CoV-2 Mpro was chemically altered to boost its ligand-binding affinity to the Mpro protease. The proposed compounds were then verified using steered molecular dynamic simulations to estimate their binding free energies to SARS-CoV-2 Mpro. The procedure was repeated until the binding free energies of the proposed compounds did not improve further. Overall, one proposed compound was shown to have a high nanomolar affinity, and two others were estimated to possess nanomolar affinities for SARS-CoV-2 Mpro, indicating that they are highly promising inhibitors of the protease. Absorption, distribution, metabolism, and excretion and toxicity analysis show that all three chemicals are drug-like compounds following the MACCS-II Drug Data Report database, orally absorbed, tightly attached to the plasma membrane, and noncarcinogenic in rats. The results obtained potentially support COVID-19 treatment. [ FROM AUTHOR] Copyright of Journal of Computational Biophysics & Chemistry is the property of World Scientific Publishing Company and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full . (Copyright applies to all s.)

Epidemiological and genetic characterization of porcine epidemic diarrhea virus in the Mekong Delta, Vietnam, from 2015 to 2017.

Porcine epidemic diarrhea (PED) virus (PEDV) is a highly contagious virus. PED was first identified in 2008 and has greatly affected the Vietnamese pig production economy. The aim of this study was to investigate the epidemiological and genetic characteristics of PEDV in piglet herds in the Mekong Delta, Vietnam. Diarrheal stool and intestinal samples from 2262 piglets from 191 herds in five provinces were collected to test for the presence of PEDV. Ten PEDV strains were randomly selected for sequencing, and four genes encoding PEDV structural proteins were analyzed. The rates of herds and samples positive for PEDV were 27.23% and 27.72%, respectively. In positive herds, the morbidity and mortality of PEDV-positive piglets were 97.97% and 79.06%, respectively, with most of the infected piglets under 7 days of age. Phylogenetic analysis showed that the 10 PEDV strains from this study clustered with genotype G2 strains from Vietnam and neighboring countries. Many amino acid substitutions were identified in important antigenic regions in the spike protein of the 10 strains when compared to four PEDV vaccine strains. This study provides novel insights into the epidemiology and genetic diversity of circulating PEDV strains, which could facilitate the development of an appropriate and proactive strategy for controlling PED.

Incidence and Risk Factors for Comorbidities Following COVID-19 Disease in People Living with HIV

OBJECTIVES/GOALS: COVID-19 disproportionately affects patients with prior health conditions and those living at a lower socioeconomic status. Persons living with HIV (PLWH) are infected with SARS-CoV-2 at a higher rate than seronegative patients. Risk factors and incidence of post-COVID-19 comorbidities in PLWH, specifically, are still unknown METHODS/STUDY POPULATION: We will study PLWH enrolled in the Emory Centers for AIDS Research (CFAR) Registry who receive care at the Grady Ponce de Leon Center in Atlanta, Georgia to 1) investigate the incidence of, and 2) identify risk factors that predispose PLWH to post-COVID-19 comorbidities. All PLWH with documented COVID-19 (by positive SARS-CoV-2 PCR or antigen test) between March 1, 2020, and September 30, 2021, with a clinic visit within 12 months will be included. We will identify comorbidities using problem list diagnoses and ICD9/10 codes. With a predicted sample size of 395, we will use a Cox proportional hazards model for time-to-detection of comorbidity, and bivariate and multivariate logistic regression models to identify predictors of incident comorbidity within 12 months of COVID-19. RESULTS/ANTICIPATED RESULTS: o Previous work demonstrated that in PLWH, age and non-AIDS comorbidities, but not HIV-related factors, were associated with hospitalization for COVID-19 in a dose dependent fashion.18 We anticipate that rate of incident comorbidities will be significantly higher in PLWH after COVID-19 compared to PLWH without a history of COVID-19. We also expect that pre-existing comorbidities including obesity and cardiovascular disease, male sex, Black race, and older age are associated with higher incidence of post-COVID-19 comorbidities in PLWH. When stratifying by organ system, we also anticipate that prior comorbidities of an organ system will predispose patients to later complications of that same system. DISCUSSION/SIGNIFICANCE: By understanding the incidence and risk factors associated with developing post-COVID-19 comorbiditieswe can improve guidelines for treatment of groups experiencing the disproportionate impact of co-infection with HIV and SARS-CoV-2.

Why are Hanoi students giving up on bus ridership?

University students are regarded as a readily available market segment for public transport. In Hanoi, as elsewhere, they constitute a large portion of bus passengers. However, one portion has been quitting buses, and the reasons were so far unknown. Nor was it clear whether they planned on retuning. Through a survey of more than 800 students in seven higher education institutions, this study aimed to find the answers to these questions. The study revealed that bus ridership was determined by socio-demographic variables (year of studies, household income, employment status, motorcycle ownership), environmental variables (home-university distance), and psychological variables (convenience, bus staff behaviour, risk of sexual harassment, reliability and health, image and status). A negative disruptor such as the fear of Covid-19 infection had little effect on the decision to continue riding buses. Meanwhile, the prospect of riding 'clean and green' electric buses, which were introduced in a pilot program, was a positive disruptor that may lead a portion of students to return to public transport.

Staying connected while physically apart: Digital communication when face-to-face interactions are limited

Theoretical and empirical work on digital media use and social connectedness has often considered face-to-face communication to be an available option. But how do various digital media uses relate to social connectedness when face-to-face communication is not, or much less, possible? Drawing on survey data from 2925 US adults during the early months of the COVID-19 pandemic, we find that different digital communication methods display different relationships with social connectedness under stay-at-home circumstances with limited in-person interactions outside the home. Overall, digital communication relates to lower social connectedness. In line with notions from social presence theory, especially digital media lower in social presence (e.g. email, social media, and online games, and to some extent text messaging) relate negatively to social connectedness, while this is not the case for higher social presence media (e.g. voice and video calls). Our study has implications for theorizing about digital media use and social connectedness in times when face-to-face communication is less available. (PsycInfo Database Record (c) 2023 APA, all rights reserved)

SG-APSIC1116: Assessing COVID-19 symptoms in infected healthcare workers in Vietnam

Objectives: In early 2021, when the COVID-19 vaccine was scarce in Vietnam, healthcare workers (HCWs) were prioritized for vaccination due to high risk of occupational exposure. However, there is some COVID-19 vaccine hesitancy within HCW communities. Assessing COVID-19 severity among vaccinated and nonvaccinated HCWs would contribute essential information to assure people of vaccine effectiveness and reduce vaccine hesitancy. Methods: We conducted a descriptive cross-sectional study at the National Hospital for Tropical Diseases in Hanoi, Vietnam, from May to June 2021. Clinical and epidemiological data from HCWs with positive polymerase chain reaction (PCR) results were collected. The severity of symptoms were classified according to Vietnam Ministry of Health guideline (Decision no. 3416 issued July 14, 2021) into 5 categories: asymptomatic, mild, moderate, severe, and critical conditions Results: Overall, 25 HCWs qualified for this study (14 women and 11 men), with a median age of 31 years. Among them, 3 HCWs were infected due to community exposure, and the rest were infected due to occupational exposure. Also, 3 HCWs received the Astra Zeneca vaccine before being infected with SARS-CoV-2 (one fully vaccinated with 2 doses and the other 2 had had the first dose). Categorized by the severity of infection, 28% were asymptomatic, 44% had mild symptoms, 20% had moderate symptoms, and 8% experienced severe symptoms. All 3 vaccinated HCWs showed only mild symptoms. Cough and sore throat were the main symptoms recorded (60%), followed by fever (56%). Blood test results did not show significant differences between the severe and mild COVID-19 groups. Conclusions: COVID-19 vaccination reduced the severity of COVID-19 in this small sample of HCWs. Full COVID-19 vaccination is strongly recommended for HCWs to reduce the spread of COVID-19 and to limit the number of cases with severe disease.

A novel design of a smart interactive guiding robot for busy airports

The COVID-19 pandemic has had a massive impact on the global aviation industry. As a result, the airline industry has been forced to embrace new technologies and procedures in order to provide a more secure and bio-safe travel. Currently, the role of smart technology in airport systems has expanded significantly as a result of the contemporary Industry 4.0 context. The article presents a novel construction of an intelligent mobile robot system to guide passengers to take the plane at the departure terminals at busy airports. The robot provides instructions to the customer through the interaction between the robot and the customer utilizing voice communications. The usage of the Google Cloud Speech-to-Text API combined with technical machine learning to analyze and understand the customer's requirements are deployed. In addition, we use a face detection technique based on Multi-task Cascaded Convolutional Networks (MTCNN) to predict the distance between the robot and passengers to perform the function. The robot can guide passengers to desired areas in the terminal. The results and evaluation of the implementation process are also mentioned in the article and show promise.

The unsanitary other and racism during the pandemic: analysis of purity discourses on social media in India, France and United States of America during the COVID-19 pandemic.

The global rise of populism and concomitant polarizations across disenfranchised and marginalized groups has been magnified by so-called echo chambers, and a major public health crisis like the COVID-19 pandemic has only served to fuel these intergroup tensions. Media institutions disseminating information on ways to prevent the propagation of the virus have reactivated a specific discursive phenomenon previously observed in many epidemics: the construction of a defiled 'Other'. With anthropological lenses, discourse on defilement is an interesting path to understand the continuous emergence of pseudo-scientific forms of racism. In this paper, the authors focus on 'borderline racism', that is the use of an institutionally 'impartial' discourse to reaffirm the inferiority of another race. The authors employed inductive thematic analysis of 1200 social media comments reacting to articles and videos published by six media in three different countries (France, United States and India). Results delineate four major themes structuring defilement discourses: food (and the relationship to animals), religion, nationalism and gender. Media articles and videos portrayed Western and Eastern countries through contrasting images and elicited a range of reaction in readers and viewers. The discussion reflects on how borderline racism can be an appropriate concept to understand the appearance of hygienic othering of specific subgroups on social media. Theoretical implications and recommendations on a more culturally sensitive approach of media coverage of epidemics and pandemics are discussed.

Predicting the severity of COVID-19 patients using the CD24-CSF1R index in whole blood samples.

Coronavirus disease 2019 (COVID-19), caused by SARS-CoV-2, has become one of the most serious public health crises worldwide. Most infected people are asymptomatic but are still able to spread the virus. People with mild or moderate illnesses are likely to recover without hospitalization, while critically ill patients face a higher risk of organ injury or even death. In this study, we aimed to identify a novel biomarker that can predict the severity of COVID-19 patients. Clinical information and RNA-seq data of leukocytes from whole blood samples with and without a COVID-19 diagnosis (n = 100 and 26, respectively) were retrieved from the National Center for Biotechnology Information Gene Expression Omnibus database. Raw data were processed using the Transcripts Per Million (TPM) method and then transformed using log2 (TPM+1) for normalization. The CD24-CSF1R index was established. Violin plots, Kaplan-Meier curves, ROC curves, and multivariate Cox proportional hazards regression analyses were performed to evaluate the prognostic value of the established index. The CD24-CSF1R index was significantly associated with ICU admission (n = 50 ICU, 50 non-ICU) and ventilatory status (n = 42 ventilation, 58 non-ventilation) with p = 4.186e-11 and p = 1.278e-07, respectively. The ROC curve produced a relatively accurate prediction of ICU admission with an AUC of 0.8524. Additionally, patients with a high index had significantly fewer mechanical ventilation-free days than patients with a low index (p = 6.07e-07). Furthermore, the established index showed a strong prognostic ability for the risk of using a ventilator in the multivariate Cox regression model (p < 0.001). The CD24-CSF1R index was significantly associated with COVID-19 severity. The established index could have potential implications for prognosis, disease severity stratification, and clinical management.

Side effects following first dose of COVID-19 vaccination in Ho Chi Minh City, Vietnam.

Vaccines are strongly recommended globally as an effective measure to prevent serious illness from and spread of COVID-19. Concerns about safety following vaccination continue to be the most common reason that people do not accept the vaccine. This retrospective study was carried out on 4341 people who received the first dose of ChAdOx1 nCoV-19, BBIBP-CorV, or mRNA-1273 vaccine at Jio Health Clinic in Ho Chi Minh City, Vietnam. Post-injection side effects were either reported by participants or actively collected by health care staff by means of telemedicine. Local side effects were reported by 35.5% of all individuals, with pain being the most common symptom (33.3%). Systemic side effects were reported by 44.2% of individuals, with fever (25.3%) and fatigue (21.4%) being the most common. Age ≤60 years, female gender, and ChAdOx1 nCoV-19 were significant independent risk factors for both local and systemic side effects, while a history of allergy was significant as a risk factor for local side effects. A total of 43 individuals (1.0%) reported concerning symptoms of rare severe complications, which were addressed and treated by physicians via Jio Health app.

Movement restrictions, vaccine coverage, and reduction of the COVID-19 incidence rate in the fourth wave of the pandemic: Analysis results from 63 provinces in Vietnam.

On April 27, 2021, the fourth wave of the coronavirus disease 2019 (COVID-19) pandemic originating from the Delta variant of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) began in Vietnam. The adoption of travel restrictions, coupled with rapid vaccination and mask-wearing, is a global strategy to prevent the spread of COVID-19. Although trade-off between health and economic development are unavoidable in this situation, little evidence that is specific to Vietnam in terms of movement restrictions, vaccine coverage, and real-time COVID-19 cases is available. Our research question is whether travel restrictions and vaccine coverage are related to changes in the incidence of COVID-19 in each province in Vietnam. We used Google's Global Mobility Data Source, which reports different mobility types, along with reports of vaccine coverage and COVID-19 cases retrieved from publicly and freely available datasets, for this research. Starting from the 50th case per province and incorporating a 14-day period to account for exposure and illness, we examined the association between changes in mobility (from day 27 to 04-03/11/2021) and the ratio of the number of new confirmed cases on a given day to the total number of cases in the past 14 days of indexing (the potentially contagious group in the population) per million population by making use of LOESS regression and logit regression. In two-thirds of the surveyed provinces, a reduction of up to 40% in commuting movement (to the workplace, transit stations, grocery stores, and entertainment venues) was related to a reduction in the number of cases, especially in the early stages of the pandemic. Once both movement and disease prevalence had been mitigated, further restrictions offered little additional benefit. These results indicate the importance of early and decisive actions during the pandemic.

Spatio-temporal model to investigate COVID-19 spread accounting for the mobility amongst municipalities.

The rapid spread of COVID-19 worldwide led to the implementation of various non-pharmaceutical interventions to limit transmission and hence reduce the number of infections. Using telecom-operator-based mobility data and a spatio-temporal dynamic model, the impact of mobility on the evolution of the pandemic at the level of the 581 Belgian municipalities is investigated. By decomposing incidence, particularly into within- and between-municipality components, we noted that the global epidemic component is relatively more important in larger municipalities (e.g., cities), while the local component is more relevant in smaller (rural) municipalities. Investigation of the effect of mobility on the pandemic spread showed that reduction of mobility has a significant impact in reducing the number of new infections.

Movement restrictions, vaccine coverage, and reduction of the COVID-19 incidence rate in the fourth wave of the pandemic: Analysis results from 63 provinces in Vietnam

On April 27, 2021, the fourth wave of the coronavirus disease 2019 (COVID-19) pandemic originating from the Delta variant of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) began in Vietnam. The adoption of travel restrictions, coupled with rapid vaccination and mask-wearing, is a global strategy to prevent the spread of COVID-19. Although trade-off between health and economic development are unavoidable in this situation, little evidence that is specific to Vietnam in terms of movement restrictions, vaccine coverage, and real-time COVID-19 cases is available. Our research question is whether travel restrictions and vaccine coverage are related to changes in the incidence of COVID-19 in each province in Vietnam. We used Google's Global Mobility Data Source, which reports different mobility types, along with reports of vaccine coverage and COVID-19 cases retrieved from publicly and freely available datasets, for this research. Starting from the 50th case per province and incorporating a 14-day period to account for exposure and illness, we examined the association between changes in mobility (from day 27 to 04–03/11/2021) and the ratio of the number of new confirmed cases on a given day to the total number of cases in the past 14 days of indexing (the potentially contagious group in the population) per million population by making use of LOESS regression and logit regression. In two-thirds of the surveyed provinces, a reduction of up to 40% in commuting movement (to the workplace, transit stations, grocery stores, and entertainment venues) was related to a reduction in the number of cases, especially in the early stages of the pandemic. Once both movement and disease prevalence had been mitigated, further restrictions offered little additional benefit. These results indicate the importance of early and decisive actions during the pandemic.

"The Stakes Are Higher"- Patient and Caregiver Perspectives on Cystic Fibrosis Research and Personalized Medicine.

Introduction: Making bench to bedside advances in cystic fibrosis (CF) care requires the sustained engagement and trust of people living with CF. However, there is a scarcity of studies exploring their concerns and priorities regarding research and its end products. The aim of this qualitative study was to generate empirical evidence regarding patient and caregiver perspectives on cystic fibrosis research and personalized medicine to foster developments in translational research in Canada. Methods: A total of 15 focus groups were conducted, engaging 22 adults with CF and 18 caregivers (e.g., parents, siblings and partners) living in Canada. Inductive thematic analysis relied on an iterative process involving themes derived from both participant meaning-making and existing scientific literature. Participant perspectives were considered along intrapersonal, intracommunity, interpersonal, and structural lines. Results: Overall, participants described a relationship to CF research inextricable from the lived experience of CF as a lifelong progressive and terminal disease and from the goal of advancing medical science. They were enthusiastic and excited about the emergence of CFTR modulators, although they had some knowledge gaps regarding the associated research. They largely spoke to positive experiences with researcher communication but had feedback regarding informed consent processes and the return of study results. Participants also voiced concerns about structural access barriers to research and to its end products. Extensive histories of research participation, a relatively small and intercommunicative CF community, and structural overlap between research and care settings contributed to their perspectives and priorities. Conclusion: Study findings are valuable for researchers and policy-makers in CF and rare or progressive diseases more broadly. Continuing to solicit and listen to the voices of patients and caregivers is crucial for research ethics and the translation of new therapies in the area of personalized medicine.

The COVID-19 Pandemic Impact and Responses in Emerging Economies: Evidence from Vietnamese Firms

A nationwide survey of 162,738 firms in Vietnam asked firms to report the impact of the COVID-19 pandemic on the health of the business, coping strategies used, and various firm and situational characteristics. More than 80% of firms reported negative impacts from the pandemic with fewer than 4% reporting positive effects;63% of the firms adopted at least one coping strategy. The coping strategies were categorized into seven groups as follows: (1) Non-adoption, (2) promoting e-commerce, (3) transforming key products/services, (4) training employees to improve professional qualifications, (5) finding new markets for input materials, (6) finding markets for products outside of the traditional market, (7) producing new products/services according to market demand during the epidemic period, and (8) other strategies. A multinomial logit regression model showed statistically significant associations between a firm's selected coping strategy and several independent variables, as follows: (1) Firm size, (2) impact of the pandemic on firm health, firm access to inputs, and firm access to domestic markets, (3) decrease in firm revenue, and (4) receipt of government support. However, many businesses have not implemented coping strategies, leading to concerns regarding their resilience to upcoming threats and uncertainties.

What if delivery riders quit? Challenges to last-mile logistics during the Covid-19 pandemic

Notoriously precarious, hazardous, and stressful, delivery jobs became even more onerous and dangerous during the pandemic. In this study, set in Ho Chi Minh City, Vietnam, we applied Structural Equation Modelling to a large sample of primary data to measure delivery riders' intention to quit their jobs at the height of the pandemic. We found that job burnout was the key trigger to the intention to quit whereas the risk of Covid-19 infection did not directly affect this behavioral intention. Female riders, migrants, persons living with chronic diseases, and those who had seen their income decimated during the pandemic were more likely to want to quit their job. But if a mass of delivery drivers or riders had failed to show up for work, the last-mile delivery sector would have become paralysed, leaving individuals in various states of lockdown or isolation without food and supplies. As the sector is poised to retain its importance in the post-pandemic period, we recommend a number of approaches for both private companies and public policy makers to persuade riders to stay in their jobs. First and foremost, strategies to prevent and mitigate job burnout should be formulated.

A Successful Case of Cardiac Arrest due to Acute Myocarditis with COVID-19: 120 Minutes on Manual Cardiopulmonary Resuscitation then Veno-Arterial Extracorporeal Membrane Oxygenation.

Acute myocarditis is one of the common complications of coronavirus disease 2019 (COVID-19) with a relatively high case fatality. Here reported is a fulminant case of a 42-year-old previously healthy woman with cardiogenic shock and refractory cardiac arrest due to COVID-19-induced myocarditis who received veno-arterial (VA) extracorporeal membrane oxygenation (ECMO) after 120 minutes of cardiopulmonary resuscitation (CPR). This is the first adult case of cardiac arrest due to COVID-19-induced myocarditis supported by ECMO that fully recovered with normal neurological functions. The success of the treatment course with full recovery emphasized the potential role of ECMO in treating these patients.