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3.
Achdout, H.; Aimon, A.; Bar-David, E.; Barr, H.; Ben-Shmuel, A.; Bennett, J.; Bilenko, V. A.; Bilenko, V. A.; Boby, M. L.; Borden, B.; Bowman, G. R.; Brun, J.; Bvnbs, S.; Calmiano, M.; Carbery, A.; Carney, D.; Cattermole, E.; Chang, E.; Chernyshenko, E.; Chodera, J. D.; Clyde, A.; Coffland, J. E.; Cohen, G.; Cole, J.; Contini, A.; Cox, L.; Cvitkovic, M.; Dias, A.; Donckers, K.; Dotson, D. L.; Douangamath, A.; Duberstein, S.; Dudgeon, T.; Dunnett, L.; Eastman, P. K.; Erez, N.; Eyermann, C. J.; Fairhead, M.; Fate, G.; Fearon, D.; Fedorov, O.; Ferla, M.; Fernandes, R. S.; Ferrins, L.; Foster, R.; Foster, H.; Gabizon, R.; Garcia-Sastre, A.; Gawriljuk, V. O.; Gehrtz, P.; Gileadi, C.; Giroud, C.; Glass, W. G.; Glen, R.; Glinert, I.; Godoy, A. S.; Gorichko, M.; Gorrie-Stone, T.; Griffen, E. J.; Hart, S. H.; Heer, J.; Henry, M.; Hill, M.; Horrell, S.; Huliak, V. D.; Hurley, M. F. D.; Israely, T.; Jajack, A.; Jansen, J.; Jnoff, E.; Jochmans, D.; John, T.; De Jonghe, S.; Kantsadi, A. L.; Kenny, P. W.; Kiappes, J. L.; Kinakh, S. O.; Koekemoer, L.; Kovar, B.; Krojer, T.; Lee, A.; Lefker, B. A.; Levy, H.; Logvinenko, I. G.; London, N.; Lukacik, P.; Macdonald, H. B.; MacLean, B.; Malla, T. R.; Matviiuk, T.; McCorkindale, W.; McGovern, B. L.; Melamed, S.; Melnykov, K. P.; Michurin, O.; Mikolajek, H.; Milne, B. F.; Morris, A.; Morris, G. M.; Morwitzer, M. J.; Moustakas, D.; Nakamura, A. M.; Neto, J. B.; Neyts, J.; Nguyen, L.; Noske, G. D.; Oleinikovas, V.; Oliva, G.; Overheul, G. J.; Owen, D.; Pai, R.; Pan, J.; Paran, N.; Perry, B.; Pingle, M.; Pinjari, J.; Politi, B.; Powell, A.; Psenak, V.; Puni, R.; Rangel, V. L.; Reddi, R. N.; Reid, S. P.; Resnick, E.; Ripka, E. G.; Robinson, M. C.; Robinson, R. P.; Rodriguez-Guerra, J.; Rosales, R.; Rufa, D.; Saar, K.; Saikatendu, K. S.; Schofield, C.; Shafeev, M.; Shaikh, A.; Shi, J.; Shurrush, K.; Singh, S.; Sittner, A.; Skyner, R.; Smalley, A.; Smeets, B.; Smilova, M. D.; Solmesky, L. J.; Spencer, J.; Strain-Damerell, C.; Swamy, V.; Tamir, H.; Tennant, R.; Thompson, W.; Thompson, A.; Tomasio, S.; Tsurupa, I. S.; Tumber, A.; Vakonakis, I.; Van Rij, R. P.; Vangeel, L.; Varghese, F. S.; Vaschetto, M.; Vitner, E. B.; Voelz, V.; Volkamer, A.; Von Delft, F. f, Von Delft, A.; Walsh, M.; Ward, W.; Weatherall, C.; Weiss, S.; White, K. M.; Wild, C. F.; Wittmann, M.; Wright, N.; Yahalom-Ronen, Y.; Zaidmann, D.; Zidane, H.; Zitzmann, N..
Embase; 2020.
Preprint in English | EMBASE | ID: ppcovidwho-330569

ABSTRACT

The COVID-19 pandemic is a stark reminder that a barren global antiviral pipeline has grave humanitarian consequences. Future pandemics could be prevented by accessible, easily deployable broad-spectrum oral antivirals and open knowledge bases that derisk and accelerate novel antiviral discovery and development. Here, we report the results of the COVID Moonshot, a fully open-science structure-enabled drug discovery campaign targeting the SARS-CoV-2 main protease. We discovered a novel chemical scaffold that is differentiated to current clinical candidates in terms of toxicity and pharmacokinetics liabilities, and developed it into orally-bioavailable inhibitors with clinical potential. Our approach leverages crowdsourcing, high throughput structural biology, machine learning, and exascale molecular simulations. In the process, we generated a detailed map of the structural plasticity of the main protease, extensive structure-activity relationships for multiple chemotypes, and a wealth of biochemical activity data. In a first for a structure-based drug discovery campaign, all compound designs (>18,000 designs), crystallographic data (>500 ligand-bound X-ray structures), assay data (>10,000 measurements), and synthesized molecules (>2,400 compounds) for this campaign were shared rapidly and openly, creating a rich open and IP-free knowledgebase for future anti-coronavirus drug discovery.

4.
1st International Conference on Optimization, Learning Algorithms and Applications, OL2A 2021 ; 1488 CCIS:309-316, 2021.
Article in English | Scopus | ID: covidwho-1593262

ABSTRACT

The SMACovid-19 project aims to develop an innovative solution for users to monitor their health status, alerting health professionals to potential deviations from the normal pattern of each user. For that, data is collected, from wearable devices and through manual input, to be processed by predictive and analytical algorithms, in order to forecast their temporal evolution and identify possible deviations, predicting, for instance, the potential worsening of the clinical situation of the patient. © 2021, Springer Nature Switzerland AG.

5.
Allergy: European Journal of Allergy and Clinical Immunology ; 76(SUPPL 110):465-466, 2021.
Article in English | EMBASE | ID: covidwho-1570398

ABSTRACT

Background: Dupilumab has been recently approved for treatment in patients with severe AD in Portugal-until now there is no published data regarding Portuguese experience in Allergy centers. Method: Cross sectional clinical and laboratory assessment of 33 patients (pts) with moderate to severe AD treated with dupilumab (dupi) for at least 16 weeks (W): prospective evaluation of severity scores (SCORAD-Scoring Atopic Dermatitis, EASI-Eczema Area and Severity Index, P-VAS-Pruritus Visual Analogic Scale), report of adverse events up to 52 weeks of treatment. SCORAD and EASI were assessed in 23 pts at W52, P-VAS in 21 pts at W52. Results: Of the 33 pts, 18 were female (55%) with a mean age (SD, range) of 35.3 years (13.2, 15-60). In 16 pts the age of onset was before 2 years old, mean (SD) disease duration 28.1 years (12);94% patients had a diffuse pattern of skin lesions;97% of pts had allergic rhinitis, 82% asthma, 52% conjunctivitis and 30% food allergy. Median total IgE at baseline was of 6313 U/ml (P25-P75: 2842-12491) with a 76% reduction at W52 in 16 pts. Median eosinophil count at baseline was 520 eosinophils/mm3 (P25-P75: 270-740). Before starting dupi 29 pts had been treated with cyclosporine. At the beginning, 15 pts were under oral corticosteroids, 14 under oral systemic immunosuppressive drugs (all pts but two stopped both until W12 of dupi) and 5 switched from omalizumab. At baseline, median SCORAD and EASI were 69.3 and 24.2 points. At W16, W36 and W52, median SCORAD was 27.4, 22.3 and 21.5, and median EASI 5.3, 4.1 and 2.1. At W16, the EASI-50, EASI-75 and EASI-90 were achieved by 91%, 61% and 18% pts, and at W52, by 87%, 70% and 52% pts. The mean percentage of SCORAD reduction at W16 and W52 was 55% and 73%;and of EASI was 76% and 82%. At W16 and W52, an improvement of ≥4 points in P-VAS was achieved by 77% and 95% pts. There was a mean reduction of P-VAS at W2, W4, W16 and W52 of 2.6;3.6;4.7 and 6.3 points, respectively. Conjunctivitis was reported in 10 (30%) pts, two of them with keratoconjunctivitis and blepharitis, without needing to interrupt treatment;two pts also had facial erythema. One patient had COVID, and dupilumab scheme treatment was maintained. Conclusion: The majority of AD patients had a significant and consistent improvement in all the severity scores, after one year of treatment with dupilumab. No relevant adverse events were reported.

6.
British Journal of Surgery ; 108(SUPPL 6):vi52-vi53, 2021.
Article in English | EMBASE | ID: covidwho-1569592

ABSTRACT

Aim: Effective handover between shifts is vital to protect patient safety. The Royal College of Surgeons has detailed the necessary information needed for each patient at handover. We aimed to assess compliance with this handover protocol. Method: Weekday surgical handover was reviewed over an 8-week period of time. Data was collected on documentation of diagnosis, up to investigations/bloods, clinical state of patient, management plan and resuscitation status/ceiling of care and COVID status. Results: 210 patients were reviewed. Of these, a clear diagnosis was documented for 152 patients. Up to date imaging results if applicable was documented in 111 of 153 patients. Up to date bloods were included in 140 of 210 patients. COVID status was only noted in 31 of 210 patients and DNAR status in only 24. After re-audit of 197 a clear diagnosis was seen in 183 patients, COVID status was documented in 170 patients and DNAR status in 169. Conclusions: Surgical handover is hugely crucial for provision of patient care. Following clear guidance from the royal college of surgeons, better compliance with handover was noted, including a critical improvement in COVID and DNAR status.

7.
22nd Annual Conference of the International Speech Communication Association, INTERSPEECH 2021 ; 6:4301-4305, 2021.
Article in English | Scopus | ID: covidwho-1535025

ABSTRACT

In this work, we propose several techniques to address data scarceness in ComParE 2021 COVID-19 identification tasks for the application of deep models such as Convolutional Neural Networks. Data is initially preprocessed into spectrogram or MFCC-gram formats. After preprocessing, we combine three different data augmentation techniques to be applied in model training. Then we employ transfer learning techniques from pretrained audio neural networks. Those techniques are applied to several distinct neural architectures. For COVID-19 identification in speech segments, we obtained competitive results. On the other hand, in the identification task based on cough data, we succeeded in producing a noticeable improvement on existing baselines, reaching 75.9% unweighted average recall (UAR). Copyright © 2021 ISCA.

8.
Journal of Pharmaceutical Research International ; 33(38B):287-294, 2021.
Article in English | Web of Science | ID: covidwho-1346733

ABSTRACT

The novel Corona virus also known as 2019-nCoV that originated in China in December 2019 has quickly spread all over the world. In absence of specific treatment or vaccine, with no natural immunity, we are forced to rely on old public health measures like Quarantine, Social distancing and Isolation for prevention of spread among community. Although isolated incidents of epidemics have required isolation and quarantine in the past, no pandemic has required social distancing to a national and international scale before. Despite the obvious physical health and economic concerns of this situation, all the above measures bring forth challenges of emotional and psychological nature which can be especially severe in special populations like elderly, young children and adolescents, health care workers, persons with mental illness. Also, certain aspects like death, role of mass media, and ethics also arise during isolation and quarantine. With mass media playing a significant role in drumming up the perceived threat, people may resort to panic behaviours like hoarding essential day to day use items and masks and other medical supplies leading to shortage. Problem of fake news related to COVID 19 lead to Govt. of India launching of AAROGYA SETU app as well as websites to centralise all COVID 19 related information to people of India. Death in isolation deprives family members and friends of opportunity to grieve for near and dear ones lost due infection or due to natural causes. The requirement of isolation and quarantine during this distressing pandemic has paved way for recognising the importance and advantages of telemedicine as a whole which has led to various government bodies including the Government of India to draw primary guidelines for medical practitioners to follow and ensure ethical concerns are addressed.

9.
J Mol Biol ; 433(18): 167118, 2021 09 03.
Article in English | MEDLINE | ID: covidwho-1303602

ABSTRACT

SARS-CoV-2 is the causative agent of COVID-19. The dimeric form of the viral Mpro is responsible for the cleavage of the viral polyprotein in 11 sites, including its own N and C-terminus. The lack of structural information for intermediary forms of Mpro is a setback for the understanding its self-maturation process. Herein, we used X-ray crystallography combined with biochemical data to characterize multiple forms of SARS-CoV-2 Mpro. For the immature form, we show that extra N-terminal residues caused conformational changes in the positioning of domain-three over the active site, hampering the dimerization and diminishing its activity. We propose that this form preludes the cis and trans-cleavage of N-terminal residues. Using fragment screening, we probe new cavities in this form which can be used to guide therapeutic development. Furthermore, we characterized a serine site-directed mutant of the Mpro bound to its endogenous N and C-terminal residues during dimeric association stage of the maturation process. We suggest this form is a transitional state during the C-terminal trans-cleavage. This data sheds light in the structural modifications of the SARS-CoV-2 main protease during its self-maturation process.


Subject(s)
Peptide Hydrolases/chemistry , Peptide Hydrolases/metabolism , SARS-CoV-2/metabolism , Viral Proteins/chemistry , Viral Proteins/metabolism , Catalytic Domain/physiology , Crystallography, X-Ray/methods , Dimerization , Humans
10.
Ieee Latin America Transactions ; 19(6):1024-1032, 2021.
Article in English | Web of Science | ID: covidwho-1290437

ABSTRACT

Compartmental Epidemiological Models have been widely used to describe the dynamics of infectious transmission diseases. These models describe the temporal progression of case counts related to an epidemic and evaluate hypotheses about the possible underlying mechanisms that explain patterns in the observed data, with distinct spatial and temporal scales. Furthermore, the models can vary in complexity, whether in terms of the number of parameters or the number of variables that characterize epidemiological states. Therefore, this approach is essential to select adequate models that characterize better transmission dynamics. This generates reliable estimates of the main parameters, which is a critical factor in minimizing uncertainty. This study aims to apply the main epidemiological compartmental models to the initial data of Covid-19 in the city of Parauapebas / PA - Brazil. A model selection criterion is proposed that, in addition to taking into account the quality of fit, mechanisms are added that capture information about past forecasts. Such a proposal contributes by providing subsidies for an adequate selection of the best model in order to enable more precise characterization of the transmission dynamics and with less loss of information.

11.
Journal of Engineering Education Transformations ; 34(Special Issue):43-48, 2020.
Article in English | Scopus | ID: covidwho-1148383

ABSTRACT

This study aims to develop chemical technology learning media through the production of dishwashing soap using sign language for students with hearing impairments. This study used a six-step research method by Borg and Gall, namely needs analysis, planning, video validation, media testing, media revision, and testing the revised media. The results of this study indicate that to create audiovisual media, instrument validation is necessary. Validation of the instrument serves to verify the videos. After the videos are validated, the videos must be edited based on the experts suggestions until the videos are declared valid and ready to use. The videos are tested on eight students with hearing impairments to teach chemical technology and dishwashing soap making. The results of the main field experiments indicates that the experiments are ineffective because the tests conducted during the COVID-19 pandemic outbreak. Besides, learning for students with hearing impairments is generally conducted face-to-face and the media is accommodated by some learning aids for material delivery. © 2020, Rajarambapu Institute Of Technology. All rights reserved.

12.
Journal of Gastroenterology and Hepatology (Australia) ; 35(SUPPL 1):191, 2020.
Article in English | EMBASE | ID: covidwho-1109575

ABSTRACT

Background and Aim: Non-alcoholic fatty liver disease (NAFLD) is emerging as a significant cause of chronic liver disease. Lifestyle modifications and weight loss are fundamental to NAFLD management. Patient-centered, economical, and clinically effective lifestyle models of care are required to support patients with NAFLD. We aimed to examine the outcomes of a dietitian-led program for patients with NAFLD. Methods: Groups of patients with NAFLD attended a 12-week dietitianled program at a tertiary hospital in Brisbane, Queensland, from December 2017 to February 2020. The program consists of an initial group session delivering lifestyle education, fortnightly individual “coaching” telephone calls, and a final group session. Weight, body mass index, waist circumference, and a Mediterranean diet quality score were recorded at the initial and conclusion sessions and statistically analyzed using SPSS. Qualitative data exploring barriers to attendance were collected using semi-structured interviews and thematically analyzed. Results: A total of 192 patients with NAFLD, in 22 groups with an average of 10 patients per group, attended the dietitian-led program during the study period. Of the 192 patients, 86 (44.8%) completed the program, with a median attendance rate of 88% for the group and telephone sessions. Patients who failed to attend the initial session, failed to attend two or more consecutive telephone reviews, and/or failed to attend the final session were named non-attenders. Results are presented in Table 1. Anthropometry for attenders versus non-attenders showed a statistically significant difference in baseline weight (98.1 vs 92.1 kg;P = 0.036) and waist circumference (111 vs 106 cm;P = 0.031). There was no difference in age or sex between attenders and non-attenders. There was a trend of decreasing attendance rates as the program progressed, with 84% of patients attending the first phone call and only 59% the final phone call. There were no statistical correlations between attendance rate and changes in weight or waist circumference, possibly due to insufficient anthropometry data for non-attenders. Of the 79 patients who commenced the program but did not attend the final group session, 12 (15%) did not attend any phone calls, 24 (30%) attended a single phone call only, 24 (30%) attended three to four phone calls, and 16 (20%) attended five or more phone calls. Qualitative analysis of patient surveys indicated that motivation, work, and time were barriers to attendance. Conclusion: The data show a statistically significant reduction in weight and waist circumference and an increase in diet quality, indicating modest improvements in metabolic risk factors. Patient attendance at the final group session was a limiting factor to data collection. Patients with a higher baseline weight and waist circumference were more likely to attend. Flexible services are required to ensure services are patient-centered. The service has since been adapted to suit coronavirus disease 2019 restrictions;future studies will be completed to assess attendance rates at virtual and face-to-face modalities.

13.
Journal of Gastroenterology and Hepatology (Australia) ; 35(SUPPL 1):185-186, 2020.
Article in English | EMBASE | ID: covidwho-1109574

ABSTRACT

Background and Aim: In March 2020, the Gastroenterological Society of Australia released recommendations for endoscopic triaging during the coronavirus disease 2019 (COVID-19) pandemic. These unique circumstances resulted in diagnostic delays. In a Brisbane hospital, computed tomography (CT) colonography was used as a minimally invasive method to examine the colon, with the aim of identifying and expediting the diagnosis of patients with high-risk abnormalities. We aimed to explore the findings and outcomes of CT colonography. Methods: In April 2020, an experienced gastroenterologist reviewed and triaged about 645 category one waitlist colonoscopy patients. Of these, 130 patients were selected on clinical grounds and referred to three community radiology providers for CT colonography between April and June 2020. Data were retrospectively collected, including patient demographics, indication from referral source, and radiology reports. Colonoscopy reports were reviewed using ProVation software. Results: Of the 130 patients selected, 92 consented and 39 declined. After CTcolonography, 13 patients were referred for colonoscopy and 79 were referred to a gastroenterology outpatient clinic. The indication for referral addressed “red flag” symptoms of unexplained anemia, rectal bleeding, weight loss, or change in bowel habits in 54/92 patients (58.7%). The median time from referral to CT colonography was 20 days. Of the CT colonographies, 75 (81.5%) were recorded as being “good” or “satisfactory” quality. The significant colonic findings and outcomes of CT colonography are shown in Table 1. One patient had a significant extracolonic finding of a malignancy, consistent with renal cell carcinoma. This patient was reviewed in the urology outpatient clinic 9 days after CT colonography. Conclusion: This cohort of patients faced delays in the time to colonoscopy due to the COVID-19 pandemic. In using CT colonography, three patients were diagnosed with significant conditions that required urgent management and treatment. In 78/130 patients (60%), no high-risk radiological abnormalities were identified, and they were referred to an outpatient clinic. CTcolonography may be an appropriate tool to assist with risk stratification for patients facing long waitlists. This requires further study to assess outcomes after clinic consultation and colonoscopy procedures.

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