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1.
Proceedings of SPIE - The International Society for Optical Engineering ; 12611, 2023.
Artigo em Inglês | Scopus | ID: covidwho-20238796

RESUMO

The 6XS6 is the structure of the SARS-CoV-2 spike protein. The physiological role of the spike protein is relative to the respiratory syndrome coronavirus and has a stronger infect on the human body than the ancestor virus. The purification of the 6XS6 is in the homo sapiens cell by the affinity chromatography, PBS supplemented and Size Exclusion chromatography. At last, using the Cryo-Electron Microscopy to see the structure. This paper is using the D614G mutation to illustrate the structure of the 6XS6. The N-terminal domain and C-terminal domain of the 6XS6 protein are ALA27 and VAL1137. Furthermore, the mutation doesn't have the hydrogen bond because the Asp614 is substituted by the Gly614, and the molecule that interacts with the Ala 647 may occur. While the 6XS6 structure has lots of non-covalent and disulfide bonds. Comparing the structure of the 6XS6 and 6VXX, both are glycoproteins, have three monomers, have two subunits, and have the same category of expression and classification. The different conformations of the two structures can affect the binding ability with the ACE2. This paper can help the researchers to further understand the structure and function of the 6XS6 which can be used in future experiments. © 2023 SPIE.

2.
Siberian Medical Review ; 2022(1):66-71, 2022.
Artigo em Russo | EMBASE | ID: covidwho-20236105

RESUMO

The aim of the research. To study the specifics in manifestations of the new coronavirus infection in newborns. Material and methods. A retrospective analysis of observations of 28 newborns diagnosed with the new coronavirus infection SARS-CoV-2 dated from June to December 2020 was performed. The infants were transferred from the perinatal centre for hospitalisation to the infectious department of a children's hospital. The patients were born to mothers with COVID-19 as well as mothers discharged from hospital and hospitalised later due to COVID-19 acquired through family contact. Clinical and laboratory data of 12 female and 16 male children aged 1 to 28 days were studied. Results. Clinical symptoms of the new coronavirus infection in newborns tend to be different: from asymptomatic course in 46.5 % of the patients to evident pneumonia in 50 % of the children. The newborns admitted with COVID-19 acquired through family contact had more severe disease manifestations. Conclusion. Amidst the pandemic rise of its incidence, the new coronavirus infection COVID-19 is not rare among newborns. COVID-19 newborns did not have a registered severe nosocomial infection, sepsis, multisystem inflammatory syndrome.Copyright © 2022, Krasnoyarsk State Medical University. All rights reserved.

4.
Vopr Virusol ; 68(2): 152-160, 2023 05 18.
Artigo em Russo | MEDLINE | ID: covidwho-20242884

RESUMO

INTRODUCTION: The COVID-19 pandemic combined with seasonal epidemics of respiratory viral diseases requires targeted antiviral prophylaxis with restorative and immunostimulant drugs. The compounds of natural origin are low-toxic, but active against several viruses at the same time. One of the most famous compounds is Inonotus obliquus aqueous extract. The fruit body of basidial fungus I. obliquus is called Chaga mushroom. The aim of the work ‒ was to study the antiviral activity of I. obliquus aqueous extract against the SARS-CoV-2 virus in vivo. MATERIALS AND METHODS: Antiviral activity of I. obliquus aqueous extract sample (#20-17) was analyzed against strain of SARS-CoV-2 Omicron ВА.5.2 virus. The experiments were carried out in BALB/c inbred mice. The SARS-CoV-2 viral load was measured using quantitative real-time PCR combined with reverse transcription. The severity of lung tissue damage was assessed by histological methods. RESULTS: The peak values of the viral load in murine lung tissues were determined 72 hours after intranasal inoculation at dose of 2,85 lg TCID50. The quantitative real-time PCR testing has shown a significant decrease in the viral load compared to the control group by 4,65 lg copies/ml and 5,72 lg copies/ml in the lung tissue and nasal cavity samples, respectively. Histological methods revealed that the decrease in the number and frequency of observed pathomorphological changes in murine lung tissues depended on the introduction of the compound under study. CONCLUSION: The results obtained indicate the possibility of using basidial fungus Inonotus obliquus aqueous extract as a preventive agent against circulating variants of SARS-CoV-2 virus.


Assuntos
Basidiomycota , COVID-19 , Coronaviridae , Coronavírus Relacionado à Síndrome Respiratória Aguda Grave , Humanos , Camundongos , Animais , SARS-CoV-2 , Antivirais/farmacologia , Antivirais/uso terapêutico , Camundongos Endogâmicos BALB C , Pandemias , Fungos
5.
Clin Infect Dis ; 76(10): 1854-1859, 2023 05 24.
Artigo em Inglês | MEDLINE | ID: covidwho-20240001

RESUMO

This is an account that should be heard of an important struggle: the struggle of a large group of experts who came together at the beginning of the COVID-19 pandemic to warn the world about the risk of airborne transmission and the consequences of ignoring it. We alerted the World Health Organization about the potential significance of the airborne transmission of SARS-CoV-2 and the urgent need to control it, but our concerns were dismissed. Here we describe how this happened and the consequences. We hope that by reporting this story we can raise awareness of the importance of interdisciplinary collaboration and the need to be open to new evidence, and to prevent it from happening again. Acknowledgement of an issue, and the emergence of new evidence related to it, is the first necessary step towards finding effective mitigation solutions.


Assuntos
COVID-19 , Humanos , SARS-CoV-2 , Pandemias/prevenção & controle , Organização Mundial da Saúde , Sociedades
6.
Int J Mol Sci ; 24(11)2023 May 25.
Artigo em Inglês | MEDLINE | ID: covidwho-20237163

RESUMO

Since the outbreak of the pandemic respiratory virus SARS-CoV-2 (COVID-19), academic communities and governments/private companies have used several detection techniques based on gold nanoparticles (AuNPs). In this emergency context, colloidal AuNPs are highly valuable easy-to-synthesize biocompatible materials that can be used for different functionalization strategies and rapid viral immunodiagnosis. In this review, the latest multidisciplinary developments in the bioconjugation of AuNPs for the detection of SARS-CoV-2 virus and its proteins in (spiked) real samples are discussed for the first time, with reference to the optimal parameters provided by three approaches: one theoretical, via computational prediction, and two experimental, using dry and wet chemistry based on single/multistep protocols. Overall, to achieve high specificity and low detection limits for the target viral biomolecules, optimal running buffers for bioreagent dilutions and nanostructure washes should be validated before conducting optical, electrochemical, and acoustic biosensing investigations. Indeed, there is plenty of room for improvement in using gold nanomaterials as stable platforms for ultrasensitive and simultaneous "in vitro" detection by the untrained public of the whole SARS-CoV-2 virus, its proteins, and specific developed IgA/IgM/IgG antibodies (Ab) in bodily fluids. Hence, the lateral flow assay (LFA) approach is a quick and judicious solution to combating the pandemic. In this context, the author classifies LFAs according to four generations to guide readers in the future development of multifunctional biosensing platforms. Undoubtedly, the LFA kit market will continue to improve, adapting researchers' multidetection platforms for smartphones with easy-to-analyze results, and establishing user-friendly tools for more effective preventive and medical treatments.


Assuntos
COVID-19 , Nanopartículas Metálicas , Humanos , SARS-CoV-2 , COVID-19/diagnóstico , Ouro , Anticorpos Antivirais , Imunoglobulina A , Sensibilidade e Especificidade , Simulação por Computador , Imunoensaio/métodos , Teste para COVID-19
7.
Viruses ; 15(5)2023 04 28.
Artigo em Inglês | MEDLINE | ID: covidwho-20236415

RESUMO

BACKGROUND: Mitochondrial dysfunction and redox cellular imbalance indicate crucial function in COVID-19 pathogenesis. Since 11 March 2020, a global pandemic, health crisis and economic disruption has been caused by SARS-CoV-2 virus. Vaccination is considered one of the most effective strategies for preventing viral infection. We tested the hypothesis that preventive vaccination affects the reduced bioenergetics of platelet mitochondria and the biosynthesis of endogenous coenzyme Q10 (CoQ10) in patients with post-acute COVID-19. MATERIAL AND METHODS: 10 vaccinated patients with post-acute COVID-19 (V + PAC19) and 10 unvaccinated patients with post-acute COVID-19 (PAC19) were included in the study. The control group (C) consisted of 16 healthy volunteers. Platelet mitochondrial bioenergy function was determined with HRR method. CoQ10, γ-tocopherol, α-tocopherol and ß-carotene were determined by HPLC, TBARS (thiobarbituric acid reactive substances) were determined spectrophotometrically. RESULTS: Vaccination protected platelet mitochondrial bioenergy function but not endogenous CoQ10 levels, in patients with post-acute COVID-19. CONCLUSIONS: Vaccination against SARS-CoV-2 virus infection prevented the reduction of platelet mitochondrial respiration and energy production. The mechanism of suppression of CoQ10 levels by SARS-CoV-2 virus is not fully known. Methods for the determination of CoQ10 and HRR can be used for monitoring of mitochondrial bioenergetics and targeted therapy of patients with post-acute COVID-19.


Assuntos
COVID-19 , Humanos , COVID-19/prevenção & controle , SARS-CoV-2 , Oxirredução , Mitocôndrias , Vacinação
8.
Cureus ; 15(6): e40148, 2023 Jun.
Artigo em Inglês | MEDLINE | ID: covidwho-20234757

RESUMO

During the COVID-19 pandemic, variants of the Betacoronavirus SARS-CoV-2, the etiologic agent of COVID-19 disease, progressively decreased in pathogenicity up to the Omicron strain. However, the case fatality rate has increased from Omicron through each major Omicron subvariant (BA.2/BA.4, BA.5, XBB.1.5) in the United States of America. World data also mirror this trend. We show that the rise of Omicron pathogenicity is exponential, and we have modeled the case fatality rate of the next major subvariant as 0.0413, 2.5 times that of the Alpha strain and 60% of the original Wuhan strain which caused the greatest morbidity and mortality during the pandemic. Small-molecule therapeutics have been developed, and some of these, such as chlorpheniramine maleate, may be useful in the event of an Omicron subvariant of higher risk.

9.
2nd International Conference on Biological Engineering and Medical Science, ICBioMed 2022 ; 12611, 2023.
Artigo em Inglês | Scopus | ID: covidwho-2324517

RESUMO

The 6XS6 is the structure of the SARS-CoV-2 spike protein. The physiological role of the spike protein is relative to the respiratory syndrome coronavirus and has a stronger infect on the human body than the ancestor virus. The purification of the 6XS6 is in the homo sapiens cell by the affinity chromatography, PBS supplemented and Size Exclusion chromatography. At last, using the Cryo-Electron Microscopy to see the structure. This paper is using the D614G mutation to illustrate the structure of the 6XS6. The N-terminal domain and C-terminal domain of the 6XS6 protein are ALA27 and VAL1137. Furthermore, the mutation doesn't have the hydrogen bond because the Asp614 is substituted by the Gly614, and the molecule that interacts with the Ala 647 may occur. While the 6XS6 structure has lots of non-covalent and disulfide bonds. Comparing the structure of the 6XS6 and 6VXX, both are glycoproteins, have three monomers, have two subunits, and have the same category of expression and classification. The different conformations of the two structures can affect the binding ability with the ACE2. This paper can help the researchers to further understand the structure and function of the 6XS6 which can be used in future experiments. © 2023 SPIE.

10.
Infectious Diseases: News, Opinions, Training ; 10(4):98-104, 2021.
Artigo em Russo | EMBASE | ID: covidwho-2326358

RESUMO

The analyses of effectiveness of medical means of protection based on virus specific antibodies, intended for special prophylactic and current of COVID-19 is conducted. The plasma of patients, obtained from the blood takes the leading part among these prepares. It is concluded, that convalescents plasma, containing virus neutralizing antibodies, may be used for emergency prevention or in the early stages of the disease. A risk group, that primarily needs in such drugs for special prophylactics, is medical workers. The other prepares, based on virus specific antibodies, including purified prepares of monoclonal antibodies, that may have certain advantages to convalescent's plasma due to their safety and high activity, due to complexity of their production and presumably high cost are unlikely to be available in the near future for mass use in the practice of medicine. The use of convalescents plasma for the prevention and treatment of COVID-19.can be based on the experience of their application in specialized medical centers and summarizing data from randomized clinical trials.Copyright © 2021 Moscow State University of Psychology and Education. All right reserved.

11.
Current Research in Nutrition and Food Science ; 11(1):37-60, 2023.
Artigo em Inglês | Scopus | ID: covidwho-2324978

RESUMO

Numerous connections between the level of vitamin D (Vit-D) and the novel coronavirus disease -19 (COVID-19) have surfaced during the pandemic. So, we conducted this systematic review and meta-analysis to explore the effect of Vit-D deficiency and its supplementation on the clinical outcomes of COVID-19 patients. We looked for relevant articles in Cochrane Library, Scopus, Web Science, PubMed, and EBSCO up until the end of 2022. The Open Meta Analyst software was used to analyze the extracted data. We classified them into two main categories based on their objectives. First, the studies that evaluated the effects of Vit-D deficiency in patients, and lastly, the studies that evaluated Vit-D as a supplement, both on mortality rate, hospitalization duration, ICU admission rate, and mechanical ventilation rate. A total of 8001 COVID-19 patients from 42 studies were included. A high serum Vit-D concentration compared to those with lower levels was associated with a significantly lower mortality rate (RR = 1.5, 95% CI = 1.11: 2.02, p = 0.01). According to the estimated effect of 18 studies, those who took Vit-D supplements had a significantly lower mortality rate, hospitalization duration, ICU admission rate, and mechanical ventilation rate than those who did not. The group receiving Vit-D doses between 50 000 to 100 000 IU had a significantly better clinical outcome compared to lower and higher doses. COVID-19 patients with normal Vit-D levels had significantly lower death rates than those with hypovitaminosis. Vit-D supplements in COVID-19 significantly improved clinical outcomes. Vit-D supplementation between 50 000 to 100 000 IU, in patients with COVID-19 significantly outperformed other doses in terms of mortality. © 2023 The Author(s). Published by Enviro Research Publishers.

12.
Clin Exp Vaccine Res ; 12(2): 107-115, 2023 Apr.
Artigo em Inglês | MEDLINE | ID: covidwho-2326668

RESUMO

Purpose: The present study aimed to study the immunogenicity of the ChAdOx1 nCoV-19 vaccine in patients with hematologic malignancies. Materials and Methods: This prospective cohort study of hematology patients aimed to evaluate their antibody levels against the receptor-binding domain of the severe acute respiratory syndrome coronavirus 2 spike protein and seroconversion rates following two doses of the ChAdOx1 nCoV-19 vaccine. Between June and July 2021, we enrolled 61 patients and included 44 patients in our analysis. Antibody levels were assessed 8 and 4 weeks after the first and second injections, respectively, and compared with those of a healthy group. Results: Eight weeks after the first dose, the geometric mean antibody level was 1.02 binding antibody units (BAU)/mL in the patient group and 37.91 BAU/mL in the healthy volunteer group (p<0.01). Four weeks after the second dose, the geometric mean antibody level was 9.44 BAU/mL in patients and 641.6 BAU/mL in healthy volunteers (p<0.01). The seroconversion rates 8 weeks after the first dose were 27.27% and 98.86% in the patient and healthy volunteer groups, respectively (p<0.001). The seroconversion rate 4 weeks after the second dose was 47.73% in patients and 100% in healthy volunteers. Factors leading to lower seroconversion rates were rituximab therapy (p=0.002), steroid therapy (p<0.001), and ongoing chemotherapy (p=0.048). Factors that decreased antibody levels were hematologic cancer (p<0.001), ongoing chemotherapy (p=0.004), rituximab (p<0.001), steroid use (p<0.001), and absolute lymphocyte count <1,000/mm3 (p=0.009). Conclusion: Immune responses were impaired in individuals with hematologic malignancies, particularly patients undergoing ongoing therapy and B-cell-depleting therapy. Additional vaccinations should be considered for these patients, and further investigated.

13.
Rev. peru. ginecol. obstet. (En línea) ; 67(1): 00008, ene.-mar 2021.
Artigo em Espanhol | WHO COVID, LILACS (Américas) | ID: covidwho-2317927

RESUMO

RESUMEN A finales de 2020 se aprobaron las vacunas desarrolladas en el mundo occidental contra el virus SARS-CoV-2, que ya están siendo inoculadas, conjuntamente con vacunas chinas y rusas. Mientras tanto, estamos en una segunda oleada de la enfermedad y el nuevo coronavirus se ha ido transformando para permitirse una mejor propagación, alojamiento y replicación en el ser humano. La enfermedad se manifiesta ahora con nueva sintomatología, mayor contagio, inclemencia y variación en el número de fallecimientos. La infección de la gestante por coronavirus se está presentando con severidad y consecuencias materno perinatales. Ya se inició la vacunación en gestantes y madres lactantes, previa conversación con su ginecólogo sobre los riesgos y beneficios. Este artículo ofrece un breve relato de los acontecimientos que tuvieron lugar durante la transición de 2020 a 2021.


ABSTRACT In late 2020, vaccines developed in the Western world against the SARS-CoV-2 virus were approved and are currently being inoculated, together with Chinese and Russian vaccines. In the meantime, we are in a second wave of the disease and the new coronavirus has been transforming to allow for better propagation, harboring and replication in humans. The disease now manifests itself with new symptoms, greater contagiousness, severity and variation in the number of deaths. Coronavirus infection of pregnant women is occurring with harshness and maternal and perinatal consequences. Vaccination has been initiated in pregnant women and nursing mothers, after discussion with their gynecologists about risks and benefits. This article provides a brief account of the events that took place during the transition from 2020 to 2021.

14.
Rev. peru. ginecol. obstet. (En línea) ; 67(3): 00009, jul.-sep 2021.
Artigo em Espanhol | WHO COVID, LILACS (Américas) | ID: covidwho-2317926

RESUMO

RESUMEN Han trascurrido dieciocho meses desde que se declaró como pandemia la infección COVID-19 ocasionada por el SARS-CoV-2. No existe aún tratamiento contra el virus, salvo el sintomático y recuperativo. El rápido reconocimiento del nuevo coronavirus permitió la elaboración de vacunas que están siendo usadas de emergencia y han permitido disminuir los casos graves, hospitalizaciones, uso de unidades de cuidados intensivos, ventilación mecánica y muertes. Pero aún quedan incógnitas sobre las modificaciones genéticas y variantes que el virus utiliza para una mejor invasión y adaptación a las defensas del ser humano, así como sobre sus consecuencias inmediatas y a largo plazo en el hombre, la mujer y su niño. Parece distante alcanzar la inmunización de rebaño, porque desconocemos la inmunidad proporcionada por la infección y por las vacunas, así como su duración, y por la importante parte de la población que no desea vacunarse. Además, existe insuficiente capacidad de oferta de vacunas, accesibilidad limitada a los servicios de salud, situación económica desfavorable, incremento de la pobreza y sus consecuencias, disminución temporal de la expectativa de vida y otras complicaciones secundarias a la infección por el virus. La presente revisión es un recuento breve de lo avanzado recientemente en el conocimiento y manejo del COVID-19, en momentos en que el Perú celebra el Bicentenario de la Independencia del país del dominio español, un 28 de julio de 1821, y que encuentra a los peruanos en medio de una pandemia agresiva, elusiva y mortal, y con aspectos humanos, poblacionales, económicos y políticos a resolver.


ABSTRACT Eighteen months have passed since the COVID-19 infection caused by SARS-CoV-2 was declared a pandemic. There is still no treatment for the virus other than symptomatic and recuperative. The rapid recognition of the novel coronavirus allowed the development of vaccines that are being used on an emergency basis and have led to a decrease in severe cases, hospitalizations, use of intensive care units, mechanical ventilation and deaths. But there are still unknowns about the genetic modifications and variants that the virus uses for better invasion and adaptation to human defenses, as well as about its immediate and long-term consequences in men, women and their children. Herd immunization seems distant to achieve, because we do not know the immunity provided by the infection and vaccines, as well as its duration, and because a large part of the population that does not want to be vaccinated. In addition, there is insufficient vaccine supply capacity, limited accessibility to health services, unfavorable economic situation, increased poverty and its consequences, temporary decrease in life expectancy and other complications secondary to infection by the virus. The present review is a brief account of recent advances in the knowledge and management of COVID-19, at a time when Peru is celebrating the Bicentennial of the country's Independence from Spanish rule, on July 28, 1821, and when Peruvians find themselves in the midst of an aggressive, elusive and deadly pandemic, with human, population, economic and political issues to be resolved.

15.
Anal Chim Acta ; 1264: 341300, 2023 Jul 11.
Artigo em Inglês | MEDLINE | ID: covidwho-2316794

RESUMO

The ongoing severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has rapidly spread worldwide which triggered serious public health issues. The search for rapid and accurate diagnosis, effective prevention, and treatment is urgent. The nucleocapsid protein (NP) of SARS-CoV-2 is one of the main structural proteins expressed and most abundant in the virus, and is considered a diagnostic marker for the accurate and sensitive detection of SARS-CoV-2. Herein, we report the screening of specific peptides from the pIII phage library that bind to SARS-CoV-2 NP. The phage monoclone expressing cyclic peptide N1 (peptide sequence, ACGTKPTKFC, with C&C bridged by disulfide bonding) specifically recognizes SARS-CoV-2 NP. Molecular docking studies reveal that the identified peptide is bound to the "pocket" region on the SARS-CoV-2 NP N-terminal domain mainly by forming a hydrogen bonding network and through hydrophobic interaction. Peptide N1 with the C-terminal linker was synthesized as the capture probe for SARS-CoV-2 NP in ELISA. The peptide-based ELISA was capable of assaying SARS-CoV-2 NP at concentrations as low as 61 pg/mL (∼1.2 pM). Furthermore, the as-proposed method could detect the SARS-CoV-2 virus at limits as low as 50 TCID50 (median tissue culture infective dose)/mL. This study demonstrates that selected peptides are powerful biomolecular tools for SARS-CoV-2 detection, providing a new and inexpensive method of rapidly screening infections as well as rapidly diagnosing coronavirus disease 2019 patients.


Assuntos
COVID-19 , SARS-CoV-2 , Humanos , Bioprospecção , Simulação de Acoplamento Molecular , COVID-19/diagnóstico , Proteínas do Nucleocapsídeo , Ensaio de Imunoadsorção Enzimática/métodos , Peptídeos , Anticorpos Antivirais
16.
Math Biosci Eng ; 20(6): 10828-10865, 2023 Apr 19.
Artigo em Inglês | MEDLINE | ID: covidwho-2316756

RESUMO

In this paper we study different vaccination strategies that could have been implemented for the early COVID-19 pandemic. We use a demographic epidemiological mathematical model based on differential equations in order to investigate the efficacy of a variety of vaccination strategies under limited vaccine supply. We use the number of deaths as the metric to measure the efficacy of each of these strategies. Finding the optimal strategy for the vaccination programs is a complex problem due to the large number of variables that affect the outcomes. The constructed mathematical model takes into account demographic risk factors such as age, comorbidity status and social contacts of the population. We perform simulations to assess the performance of more than three million vaccination strategies which vary depending on the vaccine priority of each group. This study focuses on the scenario corresponding to the early vaccination period in the USA, but can be extended to other countries. The results of this study show the importance of designing an optimal vaccination strategy in order to save human lives. The problem is extremely complex due to the large amount of factors, high dimensionality and nonlinearities. We found that for low/moderate transmission rates the optimal strategy prioritizes high transmission groups, but for high transmission rates, the optimal strategy focuses on groups with high CFRs. The results provide valuable information for the design of optimal vaccination programs. Moreover, the results help to design scientific vaccination guidelines for future pandemics.


Assuntos
COVID-19 , Humanos , COVID-19/epidemiologia , COVID-19/prevenção & controle , Pandemias/prevenção & controle , Vacinação , Programas de Imunização , Fatores de Risco
17.
Cureus ; 15(4): e37360, 2023 Apr.
Artigo em Inglês | MEDLINE | ID: covidwho-2316310

RESUMO

Tietze syndrome is a rare disease. It is mainly characterized by chest pain caused by a unilateral and monoarticular lesion of the second-fifth costal joints. Tietze syndrome is one of the potential complications in the post-COVID-19 period. It is one of the differential diagnoses for non-ischemic chest pain. With early diagnosis and appropriate treatment, this syndrome is easily manageable. The authors present a case of a 38-year-old male who had been diagnosed with Tietze syndrome in the post-coronavirus disease 2019 (COVID-19) period.

18.
J Biomol Struct Dyn ; : 1-17, 2022 Apr 05.
Artigo em Inglês | MEDLINE | ID: covidwho-2320032

RESUMO

This combined Al12E12 (E = N, P) surface adsorption and docking study describes the new possibility of prospective potential probing(photophysical/optical) and therapy(medicinal/biochemical) with these adsorbent conjugates. DFT investigations were undertaken herein to help generate geometrical models and better understand the possible favorable adsorption energetics. We attempt to explain their adsorption behaviors and docking involving SARS-CoV-2 viruses (PDB)to assess their possible pharmaceutical potential against the pandemic virus (COVID-19). The adsorption behavior of 8-hydroxy-2-methylquinoline (MQ) and its halogenated derivatives, 5,7-diiodo-8-hydroxy-2-methylquinoline (MQI), 5,7-dichloro-8-hydroxy-2-methylquinoline (MQCl), and 5,7-dibromo-8-hydroxy-2-methylquinoline (MQBr), with aluminum-nitrogen (AlN), and aluminum-phosphorous (AlP) fullerene-like nanocages is reported. A decrease in the hardness of the nanoclusters when adsorbed with drug molecules resulted in an incrementally improved chemical softness (see e.g., Hard-Soft Acid Base theory) indicating that reactivity of the drug molecule in the resulting complex increases upon cluster chemical adsorption. The energy gap is found to be maximized for AlN-MQ and minimized for AlP-MQI; the reduced density gradient (RDG) iso-surfaces and AIM studies also corroborated this. Therefore, these two were found, respectively, to be the least and most electrically conductive of the species under study. We selected a simple medicinal building block (chelator)in addition to selecting the cluster based on previous literature reports. Important parameters such as gap energies and global indices were determined. We assessed NLO properties. The SARS-CoV-2 virus PDB docking data for 6VW1, 6VYO, 6WKQ, 7AD1, 7AOL, 7B3C, were enlisted as ligand targets for studies of docking (PatchDock Server) using the requisite PDB geometries (For the structure of 6VW1, kindly see reference, 2020; For the structure of 6VYO kindly see reference, 2020; For the structure of 6WKQ kindly see reference, 2020; For the structure of 7AD1 kindly see reference, 2021; For the structure of 7AOL kindly see reference, 2021; For the structure of 7B3C kindly see reference, 2021). Such findings indicate that the AlN-drug conjugation have inhibitory effect against these selected receptors.

19.
Appl Res Qual Life ; : 1-29, 2022 Sep 14.
Artigo em Inglês | MEDLINE | ID: covidwho-2314236

RESUMO

The current study uses data surveyed with 2,500 respondents during August and September 2021 in Vietnam, Indonesia, the Philippines and Malaysia to examine the willingness to get vaccinated against SARS-CoV-2 virus with six COVID-19 vaccines. The willingness to get vaccinated varies according to the vaccine brands and selected influential factors. Particularly, the percentage of respondents who are willing to get vaccinated with Pfizer, Moderna and AstraZeneca dominates that of those who are willing to get vaccinated with Sinopharm, Janssen and Sputnik V vaccines. Results generated from the binary logistic regressions show that the impact of the selected influential factors on the willingness to get vaccinated varies in terms of magnitude and direction, and depending on the vaccine brands. The results indicate that additional scientific evidence on the efficacy and safety of the vaccines is essential for the respondents to decide whether to vaccinate or not. Such evidence can be made available in multiple formats and provided through appropriate channels and vaccination communication campaigns.

20.
WSEAS Transactions on Circuits and Systems ; 21:323-348, 2022.
Artigo em Inglês | Scopus | ID: covidwho-2292104

RESUMO

This work aims to study the virus RNAs using a novel accelerated algorithm to explore any-length repetitive genomic fragments in sequences using Hamming distance between the binary-expressed characters of an RNA and a query pattern. Primary attention is paid to the building and analyzing 1-D distributions (walks) of atg-patterns - codon-starting triplets in genomes. These triplets compose a distributed set called a word scheme of RNA. A complete genome map is built by plotting the mentioned atg-walks, trajectories of separate (a-, c-, g-, and t-symbols) nucleotides, and the lines designating the genomic words. The said map can be additionally equipped by gene's designations making this tool pertinent for multi-scale genomic analyses. The visual examination of atg-walks is followed by calculating statistical parameters of genomic sequences, including estimating walk-geometry deviation of RNAs and fractal properties of word-length distributions. This approach is applied to the SARS CoV-2, MERS CoV, Dengue, and Ebola viruses, whose complete genomic sequences are taken from GenBank and GISAID. The relative stability of these walks for SARS CoV-2 and MERS CoV viruses was found, unlike the Dengue and Ebola distributions that showed an increased deviation of their geometrical and fractal characteristics. The developed approach can be useful in further studying mutations of viruses and building their phylogenic trees. © World Scientific and Engineering Academy and Society. All Rights Reserved.

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