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1.
J Palliat Care ; 39(1): 13-20, 2024 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-36721382

RESUMEN

Objective: Internal medicine (IM) residents discuss a patient's goals of care (GOC) as part of their initial consultation. Residents have described inexperience, general discomfort, limited formal teaching, and prognostic uncertainty as barriers to effective GOC conversations. The early COVID-19 pandemic resulted in rapid changes to the healthcare system on the individual, patient, and systemic level that might exacerbate and/or introduce new barriers to IM residents' GOC conversations. This qualitative study examines how the early COVID-19 pandemic challenged IM residents' ability to have effective GOC conversations. Methods: Using a constructivist grounded theory approach, participants (n=11) completed a semi-structured interview. Data collection and analysis occurred simultaneously using an open coding, constant comparison process. Interviews were completed until no new themes were identified. Results: Residents self-described their GOC conversations in 5 steps: normalization of the conversation, introduction of expected clinical course, discussion of possible care plans, exploration of the patient's values, and occasionally providing a recommendation. Residents described limited structured teaching around GOC conversations and instead relied on observed role-modelling and self-practice to hone their skillset. Residents described an increased sense of urgency to have GOC conversations due to the uncertainty of clinical course and potential for rapid deterioration of patients with COVID-19. Residents identified restrictive visitor policies as a significant barrier that contributed to feelings of dehumanization. Residents felt that these limitations affected their GOC conversations and potentially resulted in discordant care plans which contributed to moral distress. Conclusion: The early COVID-19 pandemic resulted in several barriers that challenged residents' ability to conduct effective GOC conversations. This is on the background of previously reported discomfort and limited formal training in conducting GOC conversations. Based on our findings, we present a conceptual model involving teaching validated GOC frameworks, positive role-modelling, and experiential learning to support GOC conversation education in post-graduate medical education.


Asunto(s)
COVID-19 , Pandemias , Humanos , Comunicación , Planificación de Atención al Paciente , Progresión de la Enfermedad
2.
Biosens Bioelectron ; 244: 115791, 2024 Jan 15.
Artículo en Inglés | MEDLINE | ID: mdl-37952323

RESUMEN

Developing herd immunity against severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is pivotal for changing the course of the coronavirus disease 2019 (COVID-19) pandemic. However, the uncertainty of vaccine-induced immunity development and inequitable distribution of vaccines hinders the global vaccination effort. Therefore, routine serodiagnosis and ensuring effective vaccination on a time-to-time basis are essential for developing sustainable immunity against SARS-CoV-2. Herein, an AI-driven multiplexed point-of-care testing (POCT) platform capable of utilizing a microfluidic lab-on-a-chip (LOC) device has been proposed for analyzing bodily fluid response against SARS-CoV-2. The developed platform has been successfully utilized for the quantification of SARS-CoV-2 S-protein, N-protein, IgM, and IgG from human blood samples with limits of detection (LODs) as low as 0.01, 0.02, 0.69, and 0.61 ng/mL respectively. Finally, a data-receptive web-based dashboard system has been developed and demonstrated to provide real-time, territory-specific analysis of herd immunity progress from the test results. Thus, the proposed platform could be an imperative tool for healthcare authorities to analyze and restrain ongoing COVID-19 outbreaks or similar pandemics in the future by ensuring effective immunization.


Asunto(s)
Técnicas Biosensibles , COVID-19 , Humanos , COVID-19/diagnóstico , SARS-CoV-2 , Microfluídica , Inteligencia Artificial , Anticuerpos Antivirales
3.
Trauma Violence Abuse ; 25(1): 476-493, 2024 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-36847221

RESUMEN

The current systematic meta-review aimed to map out, characterize, analyze, and synthesize the overarching findings of systematic reviews on domestic violence (DV) in the context of COVID-19. Specifically, a systematic meta-review was conducted with three main objectives: (1) to identify what types and aspects of DV during COVID-19 have been reviewed systematically to date (research trends), (2) to synthesize the findings from recent systematic reviews of the theoretical and empirical literature (main findings), and (3) to discuss what systematic reviewers have proposed about implications for policy and practice as well as for future primary research (implications). We identified, appraised, and synthesized the evidence contained in systematic reviews by means of a so-called systematic meta-review. In all, 15 systematic reviews were found to be eligible for inclusion in the current review. Thematic codes were applied to each finding or implication in accordance with a set of predetermined categories informed by the DV literature. The findings of this review provide clear insight into current knowledge of prevalence, incidence, and contributing factors, which could help to develop evidence-informed DV prevention and intervention strategies during COVID-19 and future extreme events. This systematic meta-review does offer a first comprehensive overview of the research landscape on this subject. It allows scholars, practitioners, and policymakers to recognize initial patterns in DV during COVID-19, identify overlooked areas that need to be investigated and understood further, and adjust research methods that will lead to more robust studies.


Asunto(s)
COVID-19 , Violencia Doméstica , Humanos , COVID-19/epidemiología , Pandemias , Revisiones Sistemáticas como Asunto , Violencia Doméstica/prevención & control
4.
Acta Neurol Taiwan ; 33(2): 68-72, 2024 Jun 30.
Artículo en Inglés | MEDLINE | ID: mdl-37848228

RESUMEN

PURPOSE: Cytotoxic lesions of corpus callosum (CLOCCs) are associated with many disease entities. Serious neurological complications after coronavirus disease 2019 (COVID-19) vaccination are rare. CASE REPORT: A 20-year-old man presented with severe headache for 2 days. He had received the first dose of ChAdOx1nCoV-19 COVID-19 vaccine 5 days ago. Persistent dull headache occurred on the third day after vaccination and intensified gradually to awaken him from sleep at night. No neck stiffness was observed. Brain magnetic resonance angiography (MRA) 9 days after vaccination revealed an oval-shaped diffusion-weighted restriction lesion at the splenium of corpus callosum with a mildly high signal intensity on T2-weighted images (T2WI) and low signal intensity on apparent diffusion coefficient (ADC) imaging but without enhancement after contrast injection. A COVID-19 polymerase chain reaction test was negative. A blood test revealed slight leukocytopenia, thrombocytopenia, and hyponatremia. Further autoimmune and hematological studies were normal. A cerebrospinal fluid study revealed normal intracranial pressure. The patient's headache improved gradually. Follow-up brain MRA 5 weeks after vaccination revealed complete disappearance of the diffusion-weighted restriction lesion of the splenium. CONCLUSION: CLOCCs are rare transient adverse effect of COVID-19 vaccination possibly related to a cytokine storm. The splenic lesion might disappear spontaneously with a good prognosis.


Asunto(s)
Vacunas contra la COVID-19 , COVID-19 , Cuerpo Calloso , Adulto , Humanos , Masculino , Adulto Joven , Cuerpo Calloso/diagnóstico por imagen , Cuerpo Calloso/patología , COVID-19/prevención & control , COVID-19/patología , Vacunas contra la COVID-19/efectos adversos , Imagen de Difusión por Resonancia Magnética , Cefalea/patología , Imagen por Resonancia Magnética
5.
Talanta ; 268(Pt 1): 125279, 2024 Feb 01.
Artículo en Inglés | MEDLINE | ID: mdl-37857108

RESUMEN

In this work, electrochemical bioanalytical systems for the determination of antibodies against the Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) Spike protein (anti-rS) is reported. Environmentally friendly chemicals were applied in the synthesis of gold nanoparticles (AuNPs). The AuNPs were integrated onto the screen-printed carbon electrodes (SPE), and the biological recognition part was based on recombinant SARS-CoV-2 Spike protein (rS), which during the immobilization was cross-linked by glutaraldehyde. Immobilized rS protein based biological recognition part enabled selective recognition of anti-rS antibodies. The current flux of AuNPs reduction (at +200 mV) in a pure phosphate buffer (PB) was employed as the transduction signal. It has been reported that the formation of anti-rS layers on the surface of AuNPs delays the electrode response time (ts), tracked at the current flux density values of 80 µA cm-2. Using the AuNP-modified SPE, we demonstrated a rapid anti-rS detection within a detection limit of 2 ng mL-1 (0.125 binding antibody units mL-1, 17 pM). This system can be applied to track the response of immune system towards SARS-CoV-2 infection and monitoring of Coronavirus Disease 2019 (COVID-19).


Asunto(s)
Técnicas Biosensibles , COVID-19 , Nanopartículas del Metal , Humanos , Anticuerpos , Carbono , COVID-19/inmunología , Técnicas Electroquímicas , Electrodos , Oro , SARS-CoV-2 , Glicoproteína de la Espiga del Coronavirus
6.
Pediatr Nephrol ; 39(1): 325-329, 2024 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-37310496

RESUMEN

BACKGROUND: During the COVID-19 pandemic, some continuous kidney replacement therapy (CKRT) initiations were transitioned to telemedicine to improve the timeliness of initiation, and minimize COVID-19 transmission. While telemedicine would appear acceptable for many clinical settings, safety and timeliness of telemedicine CKRT initiation is undescribed. METHODS: We conducted a single-center retrospective cohort study of pediatric patients on CKRT from January 2021-September 2022. Information on patient characteristics and CKRT therapy was extracted from the electronic health record. Multidisciplinary team provider attitudes and perspectives were assessed using survey. RESULTS: During the study period, there were 101 CKRT circuit initiations in patients not previously receiving CKRT, with 33% (33/101) initiated by telemedicine. There were no differences in patient characteristics, including age, weight at initiation, severity of illness, nor degree of fluid overload between the in-person and telemedicine initiation cohorts. CKRT telemedicine initiations were timelier, occurring on average 3.0 h after decision to initiate therapy compared to 5.8 h for all in-person CKRT starts (p < 0.001) and 5.5 h for night and weekend in-person starts (p < 0.001). Complications did not differ between telemedicine and in-person starts (15% vs. 15%, p = 0.99) and initial circuit life was similar. There were no differences in likelihood of death or duration of CKRT therapy. Telemedicine initiations were widely acceptable to multidisciplinary providers. CONCLUSION: In appropriately selected patients, telemedicine initiation of CKRT is a timely and safe option. Further standardization of telemedicine initiation of CKRT should be considered to improve the timely delivery of CKRT and may improve nephrology workforce wellness. A higher resolution version of the Graphical abstract is available as Supplementary information.


Asunto(s)
Lesión Renal Aguda , COVID-19 , Terapia de Reemplazo Renal Continuo , Telemedicina , Humanos , Niño , Pandemias , Estudios Retrospectivos , Cognición , COVID-19/epidemiología , Terapia de Reemplazo Renal
7.
Sci Total Environ ; 906: 167709, 2024 Jan 01.
Artículo en Inglés | MEDLINE | ID: mdl-37832657

RESUMEN

Wastewater Surveillance (WS) is a crucial tool in the management of COVID-19 pandemic. The surveillance is based on enumerating SARS-CoV-2 RNA concentrations in the community's sewage. In this study, we used WS data to develop a regression model for estimating the number of active COVID-19 cases on a university campus. Eight univariate and multivariate regression model types i.e. Linear Regression (LM), Polynomial Regression (PR), Generalised Additive Model (GAM), Locally Estimated Scatterplot Smoothing Regression (LOESS), K Nearest Neighbours Regression (KNN), Support Vector Regression (SVR), Artificial Neural Networks (ANN) and Random Forest (RF) were developed and compared. We found that the multivariate RF regression model, was the most appropriate for predicting the prevalence of COVID-19 infections at both a campus level and hostel-level. We also found that smoothing the normalised SARS-CoV-2 data and employing multivariate modelling, using student population as a second independent variable, significantly improved the performance of the models. The final RF campus level model showed good accuracy when tested using previously unseen data; correlation coefficient of 0.97 and a mean absolute error (MAE) of 20 %. In summary, our non-intrusive approach has the ability to complement projections based on clinical tests, facilitating timely follow-up and response.


Asunto(s)
COVID-19 , Humanos , COVID-19/epidemiología , SARS-CoV-2 , Aguas Residuales , Pandemias , ARN Viral , Universidades , Monitoreo Epidemiológico Basado en Aguas Residuales , Aprendizaje Automático
8.
Biochim Biophys Acta Mol Basis Dis ; 1870(1): 166871, 2024 01.
Artículo en Inglés | MEDLINE | ID: mdl-37673357

RESUMEN

The RNA-dependent RNA polymerase (NSP12) of COVID-19 plays a significant role in the viral infection process, which promotes viral RNA replication by cooperating with NSP7 and NSP8, but little is known about its regulation on the function of host cells. We firstly found that overexpression of NSP12 had little effect on host mRNAs transcription. Using iCLIP technology, we found that NSP12 can bind a series of host RNAs with the conserved binding motif G(C/A/G)(U/G/A)UAG, especially ribosomal RNA. We found that NSP12 could directly bind to eEF1A factor via the NIRAN domain of NSP12 and N-terminal domain of eEF1A. NSP12 colocalized with eEF1A to inhibit type I interferon expression upon virus infection. In order to prove that NSP12 regulates the translation level of host cells, we found that NSP12 significantly affected the translation efficiency of many host mRNAs (such as ISG15, NF-κB2, ILK and SERPINI2) via ribosome profiling experiment, and the genes with significant upregulation in translation efficiency were mainly enriched in positive regulation of ubiquitin-dependent proteasomal process and NIK/NF-κB signaling pathway (such as NF-κB2, ILK), and negative regulation of type I interferon production, protein level of these genes were further confirmed in HEK293T and Calu3 cells upon NSP12 overexpression. These results indicate that NSP12 of SARS-CoV-2 can hijack the eEF1A factor to regulate translation efficiency of host mRNAs, which provides a new idea for us to evaluate the impact of SARS-CoV2 virus on the host and study the potential drug targets.


Asunto(s)
COVID-19 , Interferón Tipo I , Humanos , COVID-19/genética , Células HEK293 , Interferón Tipo I/genética , Interferón Tipo I/metabolismo , Subunidad p52 de NF-kappa B/metabolismo , Subunidad p52 de NF-kappa B/farmacología , Biosíntesis de Proteínas , ARN Viral , ARN Polimerasa Dependiente del ARN/genética , SARS-CoV-2 , Proteínas no Estructurales Virales/genética , Proteínas no Estructurales Virales/metabolismo
9.
Fam Community Health ; 47(1): 80-94, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-37681938

RESUMEN

Social distancing has reemerged as a public health measure for containing the spread of COVID-19. This integrative review aims to analyze the historical use of social distancing, the current application during COVID-19, individual factors that affect social distancing practices, and consequential health outcomes. We analyzed relevant literature from searches conducted on Scopus, PubMed, and PsycINFO. We found that resources, culture, age, gender, and personality are associated with the degree to which people practice social distancing. Furthermore, social distancing changes our lifestyles and behavior and results in multifaceted health outcomes, including decreased physical activity and sunlight exposure, increased weight gain, and impaired sleep quality. On the positive side, social distancing has been linked to reduced crime rates and environmental damage, as well as better social and family ties. Future interventions may be utilized to increase adherence to social distancing practices and to mitigate the negative health effects of social distancing.


Asunto(s)
COVID-19 , Humanos , COVID-19/prevención & control , COVID-19/epidemiología , Distanciamiento Físico , SARS-CoV-2 , Pandemias/prevención & control , Evaluación de Resultado en la Atención de Salud
10.
Sci Total Environ ; 906: 167434, 2024 Jan 01.
Artículo en Inglés | MEDLINE | ID: mdl-37774861

RESUMEN

This work focuses on the removal of SARS-CoV-2 RNA in the various stages of a full-scale municipal WWTP characterised by two biological processes in parallel: (i) conventional activated sludge (CAS) and (ii) membrane bioreactor (MBR). The monitoring was carried out during the Omicron wave in 2022, a period characterised by a high concentration of SARS-CoV-2 in influent wastewater. The average concentration of SARS-CoV-2 in influent wastewater was 3.7 × 104 GU/L. In the primary sedimentation, the removal of SARS-CoV-2 was not appreciable. The largest log removal value of SARs-CoV-2 occurred in the biological stages, with 1.8 ± 0.9 and 2.2 ± 0.7 logs in CAS and MBR systems. The mean concentrations of SARS-CoV-2 in the CAS and MBR effluents were 6.8 × 102 GU/L and 6.4 × 102 GU/L, respectively. The MBR effluent showed more negative samples, because small particles are retained by membrane and cake layer. The analysis of the different types of sludge confirmed the accumulation of SARS-CoV-2 in primary (5.2 × 104 GU/L) and secondary sludge (3.5 × 104 GU/L), due to the affinity of enveloped viruses towards biosolids. A SARS-CoV-2 concentration in the digested sludge equal to 4.8 × 104 GU/L denotes a negligible reduction in the mesophilic anaerobic digester at temperature of 31-33 °C.


Asunto(s)
COVID-19 , Purificación del Agua , Humanos , Aguas del Alcantarillado , Aguas Residuales , Eliminación de Residuos Líquidos , Anaerobiosis , SARS-CoV-2 , ARN Viral , Membranas Artificiales , Reactores Biológicos
11.
Med Gas Res ; 14(2): 75-83, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-37929511

RESUMEN

Mask use during the coronavirus disease 2019 (COVID-19) pandemic has been widely recommended and mandated worldwide. However, there is a lack of comprehensive research on the potential adverse health effects of mask usage. This study aimed to investigate and evaluate the negative effects of surgical mask use on scientifically proven cardiopulmonary functions in undergraduate and associate degree students, as well as its impact on coronaphobia. A total of 145 volunteer university students (49 males, 96 females, with a mean age of 20 years) were enrolled in the study, which consisted of two 120-minute sessions. Blood oxygen saturation, heart rate, and blood pressure were assessed before and immediately after each session. The Coronavirus-19 Phobia Scale was utilized to measure levels of COVID-19 phobia. While a time-dependent decrease in oxygen saturation level, blood pressure, and heart rate was measured when vital signs were evaluated at 1 and 120 minutes, none of the values fell outside the reference range. The study also investigated the effects of mask use on various symptoms including headaches, visual impairment, facial discomfort, earaches, shortness of breath, and anxiety. Significantly increased occurrences of all these symptoms were observed at the 60th and 120th minute compared with the baseline. The participants enrolled in the study demonstrated a moderate level of COVID-19 phobia based on the mean total score. Furthermore, high scores were recorded in the psychological and social sub-dimensions, while lower scores were recorded in the economic and psychosomatic sub-dimensions. In the post-COVID-19 normalization phase, the use of a surgical mask during a 120-minute course was found to have no significant impact on cardiopulmonary functions, but moderately affected coronaphobia scores.


Asunto(s)
COVID-19 , Femenino , Humanos , Masculino , Adulto Joven , COVID-19/epidemiología , Pandemias , SARS-CoV-2 , Estudiantes/psicología , Universidades
12.
Crit Rev Immunol ; 44(1): 31-40, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-37947070

RESUMEN

Severe acute respiratory syndrome CoV-2 (SARS-CoV-2) caused the global coronavirus disease 2019 (COVID-19) pandemic, which adversely affected almost all aspects of human life and resulted in the loss of millions of lives, while affecting nearly 0.67 billion people worldwide. SARS-CoV-2 still poses a challenge to the healthcare system as there are more than 200,000 active cases of COVID-19 around the globe. Epidemiological data suggests that the magnitude of morbidity and mortality due to COVID-19 was low in a few geographical regions and was unpredictably higher in a few regions. The genetic diversity of different geographical regions might explain the sporadic prevalence of the disease. In this context, human leukocyte antigens (HLA) represent the most polymorphic gene-dense region of the human genome and serve as an excellent mini-genome model for evaluating population genetic diversity in the context of susceptibility and progression of various diseases. In this review, we highlight the plausible influence of HLA in susceptibility, severity, immune response, and designing of epitope-based vaccines for COVID-19. Further, there is a need for extensive investigations for illustration and clarification of the functional impact of HLA class I and II alleles in the pathogenesis and progression of SARS-CoV-2.


Asunto(s)
COVID-19 , Humanos , SARS-CoV-2 , Vacunas contra la COVID-19 , Antígenos de Histocompatibilidad Clase I/genética , Antígenos HLA/genética
15.
Acta Neurol Taiwan ; 33(4): 165-174, 2024 Dec 30.
Artículo en Inglés | MEDLINE | ID: mdl-37994005

RESUMEN

BACKGROUND: Adherence to medication adherence plays a vital role in controlling the problems and complications of epilepsy. During the COVID - 19 pandemic and limitations of face-to-face education, the use of distance education can play an important role in providing education to patients. The aim of this study is the effect of model 5A self-management training on medication adherence in epileptic patients. METHODS: In this single-blind randomized controlled trial, 56 epileptic patients referred to Shiraz Namazi Hospital were divided into intervention and control groups using random allocation. Thereafter, 5A self - management training sessions were virtually held in 5 sessions in WhatsApp application for intervention group. The data collection tool was MMAS-8 at two stages of before and two months after intervention. Data analysis was performed using SPSS 21 software. RESULTS: The results of Wilcoxon test showed that in intervention group, the mean drug adherence in patients after intervention significantly increased compared to before intervention (p = 0.005). But in control group, this was not significant (p = 0.909). According to results of Mann-Whitney test, there was no significant difference between intervention and control groups before intervention (p = 0.632). However, by passing two months from intervention, a significant difference was found between intervention and control groups (p = 0.041). CONCLUSIONS: Based on results, the implementation of model 5A can be effective on medication adherence in epileptic patients. This program can be considered as a suitable method in epileptic patients during COVID - 19 pandemic.


Asunto(s)
COVID-19 , Epilepsia , Automanejo , Humanos , Automanejo/métodos , Método Simple Ciego , Pandemias , Epilepsia/tratamiento farmacológico , Cumplimiento de la Medicación
16.
Results Probl Cell Differ ; 71: 329-344, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-37996685

RESUMEN

HIV-1 and SARS-Cov-2 fuse at the cell surface or at endosomal compartments for entry into target cells; entry at the cell surface associates to productive infection, whereas endocytosis of low pH-independent viruses may lead to virus inactivation, slow replication, or alternatively, to productive infection. Endocytosis and fusion at the cell surface are conditioned by cell type-specific restriction factors and the presence of enzymes required for activation of the viral fusogen. Whereas fusion with the plasma membrane is considered the main pathway to productive infection of low pH-independent entry viruses, endocytosis is also productive and may be the main route of the highly efficient cell-to-cell dissemination of viruses. Alternative receptors, membrane cofactors, and the presence of enzymes processing the fusion protein at the cell membrane, determine the balance between fusion and endocytosis in specific target cells. Characterization of the mode of entry in particular cell culture conditions is desirable to better assess the effect of neutralizing and blocking agents and their mechanism of action. Whatever the pathway of virus internalization, production of the viral proteins into the cells can lead to the expression of the viral fusion protein on the cell surface; if this protein is able to induce membrane fusion at physiological pH, it promotes the fusion of the infected cell with surrounding uninfected cells, leading to the formation of syncytia or heterokaryons. Importantly, particular membrane proteins and lipids act as cofactors to support fusion. Virus-induced cell-cell fusion leads to efficient virus replication into fused cells, cell death, inflammation, and severe disease.


Asunto(s)
COVID-19 , Infecciones por VIH , Virus , Humanos , COVID-19/metabolismo , SARS-CoV-2 , Endocitosis , Membrana Celular/metabolismo , Infecciones por VIH/metabolismo
17.
J Mol Graph Model ; 126: 108662, 2024 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-37950976

RESUMEN

COVID-19 has highlighted the urgent need for new therapeutic agents to combat the spread of the virus. The main protease of SARS-CoV-2 (Mpro) has emerged as a promising target. In this study, we conducted an in silico investigation to explore the potential of Komaroviquinone, an icetexane diterpene, as a therapeutic agent against COVID-19. We employed molecular docking, molecular dynamics, and QM/MM methodologies to compare the binding affinity, molecular interactions, and stability of Komaroviquinone and the FDA-approved antiviral drug Nirmatrelvir with the SARS-CoV-2 Mpro protein. The study demonstrated that Komaroviquinone exhibits strong interaction with Mpro, with a binding energy comparable to Nirmatrelvir. The ADMET analysis revealed that Barbatusol, Brussonol, and Komaroviquinone possess superior solubility, permeability, and intestinal absorption compared to Nirmatrelvir, as well as more favorable distribution properties and lower toxicity profiles. Notably, Nirmatrelvir displayed toxicity and hepatotoxicity, which were not present in the natural compounds. Thus, it is suggested that Komaroviquinone may be a promising candidate for the development of effective and safer therapeutic agents against COVID-19. Experimental validation is necessary to confirm its potential as a treatment for the disease.


Asunto(s)
COVID-19 , Diterpenos , Humanos , Simulación del Acoplamiento Molecular , SARS-CoV-2 , Antivirales/farmacología , Lactamas , Leucina , Nitrilos , Inhibidores de Proteasas/farmacología , Simulación de Dinámica Molecular
18.
J Mol Graph Model ; 126: 108666, 2024 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-37976980

RESUMEN

The coronavirus disease 2019 (COVID-19) pandemic highlighted the importance of establishing systems and infrastructure to develop vaccines, antiviral drugs, and therapeutic antibodies against emerging pathogens. Typical drug discovery processes involve targeting suitable proteins to effect pathogen replication or to attenuate host responses, by examining either large chemical databases or protein-protein interactions. Following initial screens, molecular dynamics (MD) simulations are critical for gaining further insight into molecular interactions. During the COVID-19 pandemic, many research groups made their simulations widely available, as highlighted by the comprehensive D.E. Shaw Research trajectory database. To investigate protein target sites and evaluate potential lead compounds, we performed over 300 MD simulations relating to COVID-19. We organised our simulations into a repository, which is publicly available at https://epimedlab.org/trajectories/. The trajectories cover a large part of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) proteome, and the majority of our MD simulations focused on the identification of potential antivirals. For example, we focused on the S-adenosyl-l-methionine binding site of the nsp10-nsp16 complex, a critical component of viral replication, revealing verbascoside as a potential lead. Moreover, we utilised MD trajectories to explore the interface between the spike protein receptor binding domain and human angiotensin-converting enzyme 2 receptor, with the ultimate aim being investigation of new variants in real-time. Overall, MD simulations are a critical component of the in silico drug discovery process and as highlighted throughout the pandemic, data sharing enables accelerated progress. We have organised our extensive collection of COVID-19 related MD trajectories into an easily accessible repository.


Asunto(s)
COVID-19 , Humanos , Simulación de Dinámica Molecular , SARS-CoV-2 , Pandemias , Antivirales/farmacología , Antivirales/uso terapéutico , Antivirales/química
19.
Sci Total Environ ; 908: 168110, 2024 Jan 15.
Artículo en Inglés | MEDLINE | ID: mdl-37884141

RESUMEN

BACKGROUND: Low- and middle-income countries (LMIC) are disproportionately affected by air pollution and its health burden, representing a global inequity. The COVID-19 pandemic provided a unique opportunity to investigate the impact of unprecedented lockdown measures on air pollutant concentrations globally. We aim to quantify air pollutant concentration changes across LMIC settings as a result of COVID-19 restrictions. METHODS: Searches for this systematic review and meta-analysis were carried out across five databases on 30th March 2022; MEDLINE, Embase, Web of Science, Scopus and Transport Research Information Documentation. Modelling and observational studies were included, as long as the estimates reflected city or town level data and were taken exclusively in pre-lockdown and lockdown periods. Mean percentage changes per pollutant were calculated and meta-analyses were carried out to calculate mean difference in measured ground-level observed concentrations for each pollutant (PROSPERO CRD42022326924). FINDINGS: Of the 2982 manuscripts from initial searches, 256 manuscripts were included providing 3818 percentage changes of all pollutants. No studies included any countries from Sub-Saharan Africa and 34 % and 39.4 % of studies were from China and India, respectively. There was a mean percentage change of -37.4 %, -21.7 %, -54.6 %, -39.1 %, -48.9 %, 16.9 %, -34.9 %, -30.6 % and - 14.7 % for black carbon (BC), carbon monoxide (CO), nitric oxide (NO), nitrogen dioxide (NO2), oxides of nitrogen (NOx), ozone (O3), particulate matter 10 (PM10) and 2.5 (PM2.5) and sulphur dioxide (SO2), respectively. Meta-analysis included 100 manuscripts, providing 908 mean concentration differences, which showed significant reduction in mean concentration in all study settings for BC (-0.46 µg/m3, PI -0.85; -0.08), CO (-0.25 mg/m3, PI -0.44; -0.03), NO2 (-19.41 µg/m3, PI -31.14; -7.68) and NOx (-22.32 µg/m3, PI -40.94; -3.70). INTERPRETATION: The findings of this systematic review and meta-analysis quantify and confirm the trends reported across the globe in air pollutant concentration, including increases in O3. Despite the majority of global urban growth occurring in LMIC, there are distinct geographical gaps in air pollution data and, where it is available, differing approaches to analysis and reporting.


Asunto(s)
Contaminantes Atmosféricos , Contaminación del Aire , COVID-19 , Ozono , Humanos , Países en Desarrollo , Dióxido de Nitrógeno/análisis , Pandemias , COVID-19/epidemiología , Control de Enfermedades Transmisibles , Contaminación del Aire/análisis , Contaminantes Atmosféricos/análisis , Material Particulado/análisis , Ozono/análisis , Óxido Nítrico/análisis
20.
Sci Total Environ ; 908: 167922, 2024 Jan 15.
Artículo en Inglés | MEDLINE | ID: mdl-37914107

RESUMEN

The widespread use of medical face masks during the SARS-CoV-2 pandemic has significantly increased plastic waste, with a considerable proportion of these masks ending up in the environment. As these masks are transported through wind and surface runoff, they accumulate in water bodies, leading to pollution and potential environmental risks. Understanding the transport behavior of these macroplastic items is crucial for addressing the pollution problem effectively. This study focuses on predicting the terminal settling and rising velocities of medical face masks, considering their unique shape and composition, aiding upcoming research with base data for, e.g., numerical transport simulations. Three different mask types, including surgical face masks, FFP2-standard face masks, and non-medical reusable face masks, were investigated in various shapes, and modified transport formulas that take into account the shape factor and sphere-equivalent radius of the masks to accurately predict their terminal settling and rising velocities were tested for applicability. The results reveal that the unique shapes of masks influence the terminal settling and rising velocity to a greater extent than their density difference to water. The absolute mean terminal velocities ranged from 0.05 to 0.3 m/s. Understanding the transport behavior of the studied face masks provides valuable insights for managing and mitigating the pollution caused by discarded face masks in water bodies and helps to develop effective strategies for environmental protection. Furthermore, the findings highlight the need for comprehensive laboratory studies to investigate the rising and settling velocities of common macroplastic items, as they are expected to vary in their hydrodynamic behavior significantly.


Asunto(s)
COVID-19 , Humanos , Máscaras , SARS-CoV-2 , Pandemias/prevención & control , Agua , Plásticos
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