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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Muhammed Amanat; A F M Shahid Ud Daula; Fakhrul Islam;

    ABSTRACT A significant cyclic sesquiterpenoid known as Zerumbone was extracted from Zingiber roseum using the volume liquid chromatographic (VLC) technique. It’s a naturally occurring phytochemical having a variety of physiological properties, including antioxidant, anti-ulcer, and antiproliferative action. This study's major goal was to evaluate Zerumbone's anti-inflammatory effectiveness against the inflammation receptors-Secretory Phospholipase A2 (sPLA2), Cyclooxygenase-2 (COX-2), Tumor Necrosis Factor (TNF-alpha), and Inducible Nitric Oxide Synthase 4 using various in-silico methods. The targeted receptors were obtained from Protein Data Bank, and the ligand was accessed in the Pubchem database. Utilizing the Autodock PyRx platform, which supports Autodock Vina, molecular docking was carried out. Even in the computational prediction, it was revealed that this substance was non-toxic. Receptors exhibiting the highest binding affinity for our ligand were further investigated using molecular dynamics (MD) simulations with WebGRO, CABS-flex, and iMODS web servers. The molecular docking outcomes showed that our ligand molecule exhibited the highest binding affinity for the sPLA2 receptor. MD simulation studies also showed good leads to sPLA2. In conclusion, our outcomes suggest that Zerumbone is an important inhibitor of sPLA2 and might be further utilized as a potential anti-inflammatory agent. Keywords: Zerumbone, Inflammation, Docking, QSAR, ADMET, MD Simulation References Harvey, A., Strategies for discovering drugs from previously unexplored natural products. Drug discovery today, 2000. 5(7): p. 294-300. Bakhotmah, B.A. and H.A. Alzahrani, Self-reported use of complementary and alternative medicine (CAM) products in topical treatment of diabetic foot disorders by diabetic patients in Jeddah, Western Saudi Arabia. BMC Research Notes, 2010. 3(1): p. 1-8. Yadav, R. and M. Agarwala, Phytochemical analysis of some medicinal plants. Journal of phytology, 2011. 3(12). Arunkumar, S. and M. Muthuselvam, Analysis of phytochemical constituents and antimicrobial activities of Aloe vera L. against clinical pathogens. World journal of agricultural sciences, 2009. 5(5): p. 572-576. Dewick, P., Tumor inhibition from plants. Tease and Evans, 1996: p. 210-214. Phillipson, J.D., et al., Plants with antiprotozoal activity. Trease and Evans’ Pharmacognosy, 1996. Bellik, Y., et al., Phytochemicals to prevent inflammation and allergy. Recent Patents on Inflammation & Allergy Drug Discovery, 2012. 6(2): p. 147-158. Hotamisligil, G.S., Inflammation and metabolic disorders. Nature, 2006. 444(7121): p. 860-867. Chen, H., et al., Discovery of a novel pyrazole series of group X secreted phospholipase A2 inhibitor (sPLA2X) via fragment based virtual screening. Bioorganic & Medicinal Chemistry Letters, 2014. 24(22): p. 5251-5255. Sengupta, S., et al., In-Silico Modelling of 1-3-[3-(Substituted Phenyl) Prop-2-Enoyl) Phenyl Thiourea Against Anti-Inflammatory Drug Targets. Biosciences Biotechnology Research Asia, 2021. 18(2): p. 413. Boyanovsky, B.B. and N.R. Webb, Biology of Secretory Phospholipase A2. Cardiovascular Drugs and Therapy, 2008. 23(1). Triggiani, M., et al., Secretory phospholipases A2 in inflammatory and allergic diseases: not just enzymes. Journal of Allergy and Clinical Immunology, 2005. 116(5): p. 1000-1006. Dennis, E.A. and P.C. Norris, Eicosanoid storm in infection and inflammation. Nature Reviews Immunology, 2015. 15(8): p. 511-523. Sanak, M., Eicosanoid mediators in the airway inflammation of asthmatic patients: what is new? Allergy, asthma & immunology research, 2016. 8(6): p. 481-490. Simmons, D.L., R.M. Botting, and T. Hla, Cyclooxygenase isozymes: the biology of prostaglandin synthesis and inhibition. Pharmacological reviews, 2004. 56(3): p. 387-437. Bindra, J., Prostaglandin synthesis. 2012: Elsevier. Williams, T. and J. Morley, Prostaglandins as potentiators of increased vascular permeability in inflammation. Nature, 1973. 246(5430): p. 215-217. Yao, C. and S. Narumiya, Prostaglandin‐cytokine crosstalk in chronic inflammation. British journal of pharmacology, 2019. 176(3): p. 337-354. Gunalan, G., et al., Anti-inflammatory activities of phytochemicals from Bauhinia variegata Linn. leaf: An in silico approach. J. chem. pharm, 2014. 6(9): p. 334-48. Gunalan, G., C. Romeo, and P. Sumathi, Docking Studies of Pyrazole Derivative as Anti-Inflammatory Drug With Cyclooxgenase-2. IJBST, 2011. 4(12): p. 82-86. Fu, J.-Y., et al., The induction and suppression of prostaglandin H2 synthase (cyclooxygenase) in human monocytes. Journal of Biological Chemistry, 1990. 265(28): p. 16737-16740. Crofford, L.J., et al., Cyclooxygenase-1 and-2 expression in rheumatoid synovial tissues. Effects of interleukin-1 beta, phorbol ester, and corticosteroids. The Journal of clinical investigation, 1994. 93(3): p. 1095-1101. Chu, W.-M., Tumor necrosis factor. Cancer Letters, 2013. 328(2): p. 222-225. Fischer, R. and O. Maier, Interrelation of oxidative stress and inflammation in neurodegenerative disease: role of TNF. Oxidative medicine and cellular longevity, 2015. 2015. Annibaldi, A. and P. Meier, Checkpoints in TNF-induced cell death: implications in inflammation and cancer. Trends in molecular medicine, 2018. 24(1): p. 49-65. Knowles, R.G. and S. Moncada, Nitric oxide synthases in mammals. Biochemical Journal, 1994. 298(Pt 2): p. 249. Jayashankar, B., et al., Supercritical extract of Seabuckthorn leaves (SCE200ET) inhibited endotoxemia by reducing inflammatory cytokines and nitric oxide synthase 2 expression. International Immunopharmacology, 2014. 20(1): p. 89-94. Korhonen, R., et al., Nitric oxide production and signaling in inflammation. Current Drug Targets-Inflammation & Allergy, 2005. 4(4): p. 471-479. Kröncke, K., K. Fehsel, and V. Kolb-Bachofen, Inducible nitric oxide synthase in human diseases. Clinical & experimental immunology, 1998. 113(2): p. 147-156. Cragg, G.M., D.J. Newman, and K.M. Snader, Natural products in drug discovery and development. Journal of natural products, 1997. 60(1): p. 52-60. Kim, Y.S., et al., Bioactive Food Components, Inflammatory Targets, and Cancer PreventionDiet, Inflammation, and Cancer Prevention. Cancer prevention research, 2009. 2(3): p. 200-208. Gautam, R. and S.M. Jachak, Recent developments in anti‐inflammatory natural products. Medicinal research reviews, 2009. 29(5): p. 767-820. Calixto, J.B., M.F. Otuki, and A.R. Santos, Anti-inflammatory compounds of plant origin. Part I. Action on arachidonic acid pathway, nitric oxide and nuclear factor κ B (NF-κB). Planta medica, 2003. 69(11): p. 973-983. Al-Amin, M., et al., Antimicrobial activity of the crude extract, fractions and isolation of zerumbone from the rhizomes of Zingiber roseum. Journal of Research in Pharmacy, 2019. 23(3): p. 559-566. Kalantari, K., et al., A Review of the Biomedical Applications of Zerumbone and the Techniques for Its Extraction from Ginger Rhizomes. Molecules, 2017. 22(10): p. 1645. Al-Amin, M., G.N.N. Sultana, and C.F. Hossain, Antiulcer principle from Zingiber montanum. Journal of Ethnopharmacology, 2012. 141(1): p. 57-60. Sulaiman, M., et al., Preliminary analysis of the antinociceptive activity of zerumbone. Fitoterapia, 2009. 80(4): p. 230-232. Sulaiman, M., et al., Anti-inflammatory effect of zerumbone on acute and chronic inflammation models in mice. Fitoterapia, 2010. 81(7): p. 855-858. Sulaiman, M.R., et al., Anti-inflammatory effect of zerumbone on acute and chronic inflammation models in mice. Fitoterapia, 2010. 81(7): p. 855-858. Somchit, M., et al., Zerumbone isolated from Zingiber zerumbet inhibits inflammation and pain in rats. Journal of Medicinal Plants Research, 2012. 6(2): p. 177-180. Goel, R.K., et al., PASS-assisted exploration of new therapeutic potential of natural products. Medicinal Chemistry Research, 2011. 20(9): p. 1509-1514. Khurana, N., et al., PASS assisted prediction and pharmacological evaluation of novel nicotinic analogs for nootropic activity in mice. European journal of pharmacology, 2011. 662(1-3): p. 22-30. Mittal, M., et al., PASS-assisted exploration of antidepressant activity of 1, 3, 4-trisubstituted-β-lactam derivatives. Bioorganic & medicinal chemistry letters, 2008. 18(20): p. 5347-5349. Amanat, M., et al., Zingiber roseum Rosc. rhizome: A rich source of hepatoprotective polyphenols. Biomedicine & Pharmacotherapy, 2021. 139: p. 111673. Yang, Z., et al., UCSF Chimera, MODELLER, and IMP: an integrated modeling system. Journal of structural biology, 2012. 179(3): p. 269-278. Berman, H.M., et al., The Protein Data Bank archive as an open data resource. Journal of computer-aided molecular design, 2014. 28(10): p. 1009-1014. Kalimuthu, A.K., et al., Pharmacoinformatics-based investigation of bioactive compounds of Rasam (South Indian recipe) against human cancer. Scientific Reports, 2021. 11(1). Dey, D., et al., Molecular optimization, docking, and dynamic simulation profiling of selective aromatic phytochemical ligands in blocking the SARS-CoV-2 S protein attachment to ACE2 receptor: an in silico approach of targeted drug designing. Journal of Advanced Veterinary and Animal Research, 2021. 8(1): p. 1. simulation, W.f.m. Simlab. 21.06.2022]; Available from: https://simlab.uams.edu/. Kuriata, A., et al., CABS-flex 2.0: a web server for fast simulations of flexibility of protein structures. Nucleic acids research, 2018. 46(W1): p. W338-W343. Schüttelkopf, A.W. and D.M. Van Aalten, PRODRG: a tool for high-throughput crystallography of protein–ligand complexes. Acta Crystallographica Section D: Biological Crystallography, 2004. 60(8): p. 1355-1363. Berendsen, H., J. Grigera, and T. Straatsma, The missing term in effective pair potentials. Journal of Physical Chemistry, 1987. 91(24): p. 6269-6271. Jamroz, M., A. Kolinski, and S. Kmiecik, CABS-flex predictions of protein flexibility compared with NMR ensembles. Bioinformatics, 2014. 30(15): p. 2150-2154. pkCSM. Pharmacokinetic properties 20.06.2022]; Available from: http://biosig.unimelb.edu.au/pkcsm/prediction. Organic Chemistry Portal. Molecular Property Explorer. 21.06.2022]; Available from: https://www.organic-chemistry.org/prog/. Swiss Institute of Bio-informatics. SwissADME. 20.06.2022]; Available from: http://www.swissadme.ch/index.php. Wang, Y., et al., In silico prediction of human intravenous pharmacokinetic parameters with improved accuracy. Journal of chemical information and modeling, 2019. 59(9): p. 3968-3980. Islam, M.A. and T.S. Pillay, Identification of promising anti-DNA gyrase antibacterial compounds using de novo design, molecular docking and molecular dynamics studies. Journal of Biomolecular Structure and Dynamics, 2020. 38(6): p. 1798-1809. Daina, A., O. Michielin, and V. Zoete, SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules. Scientific reports, 2017. 7(1): p. 1-13. Lindorff‐Larsen, K., et al., Improved side‐chain torsion potentials for the Amber ff99SB protein force field. Proteins: Structure, Function, and Bioinformatics, 2010. 78(8): p. 1950-1958. Abraham, M.J., et al., GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers. SoftwareX, 2015. 1: p. 19-25. Kumar, D., et al., Promising inhibitors of main protease of novel corona virus to prevent the spread of COVID-19 using docking and molecular dynamics simulation. Journal of Biomolecular Structure and Dynamics, 2020. 39(13): p. 4671-4685. Tumskiy, R.S. and A.V. Tumskaia, Multistep rational molecular design and combined docking for discovery of novel classes of inhibitors of SARS-CoV-2 main protease 3CLpro. Chemical Physics Letters, 2021. 780: p. 138894. Rahman, M.M., et al., Virtual screening, molecular dynamics and structure–activity relationship studies to identify potent approved drugs for Covid-19 treatment. Journal of Biomolecular Structure and Dynamics, 2021. 39(16): p. 6231-6241. Kumar, B., et al., In silico screening of therapeutic potentials from Strychnos nux-vomica against the dimeric main protease (Mpro) structure of SARS-CoV-2. Journal of Biomolecular Structure and Dynamics, 2021: p. 1-19. Gupta, S., et al., Identification of potential natural inhibitors of SARS-CoV2 main protease by molecular docking and simulation studies. Journal of Biomolecular Structure and Dynamics, 2021. 39(12): p. 4334-4345. Oprea, T.I. and H. Matter, Integrating virtual screening in lead discovery. Current opinion in chemical biology, 2004. 8(4): p. 349-358.

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    Authors: Engzell, Per; Frey, Arun; Verhagen, Mark;

    Suspension of face-to-face instruction in schools during the COVID-19 pandemic has led to concerns about consequences for students’ learning. So far, data to study this question have been limited. Here we evaluate the effect of school closures on primary school performance using exceptionally rich data from The Netherlands (n ≈ 350,000). We use the fact that national examinations took place before and after lockdown and compare progress during this period to the same period in the 3 previous years. The Netherlands underwent only a relatively short lockdown (8 wk) and features an equitable system of school funding and the world’s highest rate of broadband access. Still, our results reveal a learning loss of about 3 percentile points or 0.08 standard deviations. The effect is equivalent to one-fifth of a school year, the same period that schools remained closed. Losses are up to 60% larger among students from less-educated homes, confirming worries about the uneven toll of the pandemic on children and families. Investigating mechanisms, we find that most of the effect reflects the cumulative impact of knowledge learned rather than transitory influences on the day of testing. Results remain robust when balancing on the estimated propensity of treatment and using maximum-entropy weights or with fixed-effects specifications that compare students within the same school and family. The findings imply that students made little or no progress while learning from home and suggest losses even larger in countries with weaker infrastructure or longer school closures.

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    Authors: Edilma Bandeira de Araújo Nogueira; Marinalva da Silva Ferreira; Roza Maria Soares da Silva; Ilma Maria de Oliveira Silva;

    A obra é resultado de experiências vivenciadas no âmbito do estágio supervisionado no curso de Pedagogia da Universidade Estadual da Região Tocantina do Maranhão, em período pandêmico. Traz reflexões sobre os desafios da garantia do direito à educação bem como das implicações na formação e na prática docente durante a pandemia de covid-19.

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    Authors: Züleyha Ertan Kantos; Aslı Yurttaş; Murat Taşdan; Zuhal Topcu;

    This study, which aims to examine the distance education experiences of people who work as teachers but who are also parents during the COVID-19 pandemic uses descriptive phenomenology, an approach used in qualitative research. The analysis revealed six main themes that explain the distance education experiences of parent-teachers -- students' academic learning environment, teacher-student communication, use of EIN (education information network) and live lessons, family support, advantages and limitations of distance education, and teachers' views on distance education. The study concluded that the academic learning environment students have during distance learning is inadequate, that the quality and duration of student-teacher communication during distance learning is inadequate, that the quality of teacher-student communication favored students in private schools over teacher parent-children communication, that parent-teachers possessed negative views about distance education, and that distance learning led to unequal opportunities among students..

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    Authors: Renaldy Dwi Tama, Evi Priyanti;

    The Indonesian state is experiencing the Covid 19 Virus Pandemic which has an impact on the economy to food for the people, the government of the Republic of Indonesia has mandated national food security since 2015 with the aim that the country can survive in difficult situations such as a pandemic. The implementation of this policy has been stated through the Ministry of Agriculture with the Sustainable Food Garden (P2L) program since 2017, the District Government has only started the program since it was affected by the Covid 19 virus pandemic with Pasirkaliki Village as a pilot. Pasirkaliki Village has successfully implemented the Sustainable Food Garden Program (P2L) through planting a thousand chili seeds, the success of this implementation does not have a significant impact if you look at the initial goal of the Sustainable Food Garden program, namely food security. With the qualitative method of correlational qualitative research, researchers want to know the extent to which a variable is related to other variables. This method aims to find out whether or not there is a relationship. If so, how closely related and how significant is the relationship.

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    Authors: Mahhin Ahuja;

    Coronavirus outbreak, which was first reported in Wuhan, China on December 31, 2019 has been sending ripples across the globe and has amplified to the stature of an international health crisis. With lakhs of deaths and new cases being reported in a span of six months in varied countries, the virus has forced governments and administrations to take precautionary measures such as complete lockdown of the cities, and strict isolation for the reported cases. In this regard, my project seeks to study the devastating effect that this isolating and threatening lockdown has had on the Indian Economy, as well as the role of digital connectivity in supporting the economic base of India during the crisis. For this, I have studied the economic effects of digitalisation on the existing structures of Indian businesses, and have analyzed them in light of various factors that determine growth. The project is not just aimed at conducting a first-hand study of this rare crisis that the world is facing, but is also an innovative attempt to gauge the digital potential of Indian economy and present the data for the industries to revise and review their digital structures.

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    Authors: Hermjakob, Henning; Kleemola, Mari; Moilanen, Katja; Sansone, Susanna-Assunta; +8 Authors

    BY-COVID Work Package 3 is focused on services for the discovery and integration of COVID-19 data by delivering a flexible, tiered metadata discovery system across different domains, metadata standards, and maturity/robustness levels of data sources. This will enable the linking of FAIR data and metadata on SARS-CoV-2 and COVID-19, on other related viruses and diseases, and on socio-economic consequences, across research fields, from omics, clinical, and epidemiological research, to social sciences and humanities. In a series of work package meetings and a workshop, with participation from all other work packages, we have surveyed community metadata standards used by (potential) BY-COVID-19 portal resources (4.1), defined a flexible, three-tiered approach to metadata indexing in the COVID-19 portal (section 4.2), derived common metadata attributes for record level discovery (4.3) and established a workflow with FAIRsharing for resource level metadata capture and exchange (4.4). This work establishes the basis for the further development of the COVID-19 Portal metadata discovery and provides a path for integration of metadata from multi-domain partners in BY-COVID, as well as our ISIDORe sibling project, and relevant external resources. To ensure smooth integration of partner-provided metadata, we will run a technical workshop open to all partners, discussing workflows, metadata attributes and formats, and support tools. Contributor: Morris Swertz (UMCG/BBMRI)

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    ZENODO
    Project deliverable . 2022
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    Authors: Acevedo-Duque, Ángel,; Álvarez-Herranz, A. P.; Álvarez Becerra, R. M.; Guanilo-Gómez, S. L.;

    El mundo cada vez es más complejo y preocupado por los recursos que la compone, la actual pandemia COVID-19 evidencia que no sólo las empresas sino también los países se ven envueltos en una competición a todos los niveles para convertirse en referencia impactando en las 3 dimensiones (económica, social y ambiental). El propósito de la presente investigación fue analizar las principales motivaciones que llevan las empresas con certificación B en América Latina. La metodología fue cualitativa bajo el método de teoría fundamentada, la unidad de análisis estuvo correspondida por 183 empresas bajo criterios de exclusión como: Pertenecer a las industrias de educación, turismo y hotelería, y apoyo a los emprendimientos, pertenecer a solo países de Latinoamérica y tener la certificación B. Los principales hallazgos fueron que las Empresas B responsables desarrollan una economía más inclusiva, sostenible y respetuosa con el medio ambiente en beneficio de la sociedad, que van más allá de la noción de Responsabilidad Social Empresarial. Las conclusiones evidencian que estas empresas se alejan de las empresas tradicionales, puesto que combinan el desarrollo social y el crecimiento económico posicionando a los países que tienen este tipo de empresas como referentes.

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    В статье исследуется влияние коронавирусной инфекции COVID-19 на органы чувств.

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    Authors: Dr. Neha Nalawade; Mr. Kallol Bose;

    Introduction - The life insurance company usually deals with pure risk term policies, investment linked policies and saving policies for long term returns. The pandemic situations create attention on stress management for training the employee covering in-source training and out-source training conducted in the life insurance companies to effectively manage the stress. Objective - The intention of the research is to analyse the covid 19 impact on the Life Insurance companies and the stress management training program conducted by the companies located in the Pune, India to reduce the stress facing because of pandemic. Moreover, the study compares the insource training and outsource training of the Stress Management of Training. Methodology - To effectively evaluate the comparison of in-house training and outsource training, the study uses both primary and secondary data to determine the effective measure to reduce the stress and how to adequately train the occupants working in life insurance sectors. Results - The finding reflects the measures and reveals the factors that assist to subdue the stress and adequately indulge the employee by training and aware them through effectively tackling the stress generated by the Covid. Also recommend the strategies for nurturing the Life Insurance sector after pandemic.

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    Authors: Muhammed Amanat; A F M Shahid Ud Daula; Fakhrul Islam;

    ABSTRACT A significant cyclic sesquiterpenoid known as Zerumbone was extracted from Zingiber roseum using the volume liquid chromatographic (VLC) technique. It’s a naturally occurring phytochemical having a variety of physiological properties, including antioxidant, anti-ulcer, and antiproliferative action. This study's major goal was to evaluate Zerumbone's anti-inflammatory effectiveness against the inflammation receptors-Secretory Phospholipase A2 (sPLA2), Cyclooxygenase-2 (COX-2), Tumor Necrosis Factor (TNF-alpha), and Inducible Nitric Oxide Synthase 4 using various in-silico methods. The targeted receptors were obtained from Protein Data Bank, and the ligand was accessed in the Pubchem database. Utilizing the Autodock PyRx platform, which supports Autodock Vina, molecular docking was carried out. Even in the computational prediction, it was revealed that this substance was non-toxic. Receptors exhibiting the highest binding affinity for our ligand were further investigated using molecular dynamics (MD) simulations with WebGRO, CABS-flex, and iMODS web servers. The molecular docking outcomes showed that our ligand molecule exhibited the highest binding affinity for the sPLA2 receptor. MD simulation studies also showed good leads to sPLA2. In conclusion, our outcomes suggest that Zerumbone is an important inhibitor of sPLA2 and might be further utilized as a potential anti-inflammatory agent. Keywords: Zerumbone, Inflammation, Docking, QSAR, ADMET, MD Simulation References Harvey, A., Strategies for discovering drugs from previously unexplored natural products. Drug discovery today, 2000. 5(7): p. 294-300. Bakhotmah, B.A. and H.A. Alzahrani, Self-reported use of complementary and alternative medicine (CAM) products in topical treatment of diabetic foot disorders by diabetic patients in Jeddah, Western Saudi Arabia. BMC Research Notes, 2010. 3(1): p. 1-8. Yadav, R. and M. Agarwala, Phytochemical analysis of some medicinal plants. Journal of phytology, 2011. 3(12). Arunkumar, S. and M. Muthuselvam, Analysis of phytochemical constituents and antimicrobial activities of Aloe vera L. against clinical pathogens. World journal of agricultural sciences, 2009. 5(5): p. 572-576. Dewick, P., Tumor inhibition from plants. Tease and Evans, 1996: p. 210-214. Phillipson, J.D., et al., Plants with antiprotozoal activity. Trease and Evans’ Pharmacognosy, 1996. Bellik, Y., et al., Phytochemicals to prevent inflammation and allergy. Recent Patents on Inflammation & Allergy Drug Discovery, 2012. 6(2): p. 147-158. Hotamisligil, G.S., Inflammation and metabolic disorders. Nature, 2006. 444(7121): p. 860-867. Chen, H., et al., Discovery of a novel pyrazole series of group X secreted phospholipase A2 inhibitor (sPLA2X) via fragment based virtual screening. Bioorganic & Medicinal Chemistry Letters, 2014. 24(22): p. 5251-5255. 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Current Drug Targets-Inflammation & Allergy, 2005. 4(4): p. 471-479. Kröncke, K., K. Fehsel, and V. Kolb-Bachofen, Inducible nitric oxide synthase in human diseases. Clinical & experimental immunology, 1998. 113(2): p. 147-156. Cragg, G.M., D.J. Newman, and K.M. Snader, Natural products in drug discovery and development. Journal of natural products, 1997. 60(1): p. 52-60. Kim, Y.S., et al., Bioactive Food Components, Inflammatory Targets, and Cancer PreventionDiet, Inflammation, and Cancer Prevention. Cancer prevention research, 2009. 2(3): p. 200-208. Gautam, R. and S.M. Jachak, Recent developments in anti‐inflammatory natural products. Medicinal research reviews, 2009. 29(5): p. 767-820. Calixto, J.B., M.F. Otuki, and A.R. Santos, Anti-inflammatory compounds of plant origin. Part I. Action on arachidonic acid pathway, nitric oxide and nuclear factor κ B (NF-κB). Planta medica, 2003. 69(11): p. 973-983. Al-Amin, M., et al., Antimicrobial activity of the crude extract, fractions and isolation of zerumbone from the rhizomes of Zingiber roseum. Journal of Research in Pharmacy, 2019. 23(3): p. 559-566. Kalantari, K., et al., A Review of the Biomedical Applications of Zerumbone and the Techniques for Its Extraction from Ginger Rhizomes. Molecules, 2017. 22(10): p. 1645. Al-Amin, M., G.N.N. Sultana, and C.F. Hossain, Antiulcer principle from Zingiber montanum. Journal of Ethnopharmacology, 2012. 141(1): p. 57-60. Sulaiman, M., et al., Preliminary analysis of the antinociceptive activity of zerumbone. Fitoterapia, 2009. 80(4): p. 230-232. Sulaiman, M., et al., Anti-inflammatory effect of zerumbone on acute and chronic inflammation models in mice. Fitoterapia, 2010. 81(7): p. 855-858. Sulaiman, M.R., et al., Anti-inflammatory effect of zerumbone on acute and chronic inflammation models in mice. Fitoterapia, 2010. 81(7): p. 855-858. Somchit, M., et al., Zerumbone isolated from Zingiber zerumbet inhibits inflammation and pain in rats. Journal of Medicinal Plants Research, 2012. 6(2): p. 177-180. Goel, R.K., et al., PASS-assisted exploration of new therapeutic potential of natural products. Medicinal Chemistry Research, 2011. 20(9): p. 1509-1514. Khurana, N., et al., PASS assisted prediction and pharmacological evaluation of novel nicotinic analogs for nootropic activity in mice. European journal of pharmacology, 2011. 662(1-3): p. 22-30. Mittal, M., et al., PASS-assisted exploration of antidepressant activity of 1, 3, 4-trisubstituted-β-lactam derivatives. Bioorganic & medicinal chemistry letters, 2008. 18(20): p. 5347-5349. Amanat, M., et al., Zingiber roseum Rosc. rhizome: A rich source of hepatoprotective polyphenols. Biomedicine & Pharmacotherapy, 2021. 139: p. 111673. Yang, Z., et al., UCSF Chimera, MODELLER, and IMP: an integrated modeling system. Journal of structural biology, 2012. 179(3): p. 269-278. Berman, H.M., et al., The Protein Data Bank archive as an open data resource. Journal of computer-aided molecular design, 2014. 28(10): p. 1009-1014. Kalimuthu, A.K., et al., Pharmacoinformatics-based investigation of bioactive compounds of Rasam (South Indian recipe) against human cancer. Scientific Reports, 2021. 11(1). Dey, D., et al., Molecular optimization, docking, and dynamic simulation profiling of selective aromatic phytochemical ligands in blocking the SARS-CoV-2 S protein attachment to ACE2 receptor: an in silico approach of targeted drug designing. Journal of Advanced Veterinary and Animal Research, 2021. 8(1): p. 1. simulation, W.f.m. Simlab. 21.06.2022]; Available from: https://simlab.uams.edu/. Kuriata, A., et al., CABS-flex 2.0: a web server for fast simulations of flexibility of protein structures. Nucleic acids research, 2018. 46(W1): p. W338-W343. Schüttelkopf, A.W. and D.M. Van Aalten, PRODRG: a tool for high-throughput crystallography of protein–ligand complexes. Acta Crystallographica Section D: Biological Crystallography, 2004. 60(8): p. 1355-1363. Berendsen, H., J. Grigera, and T. Straatsma, The missing term in effective pair potentials. Journal of Physical Chemistry, 1987. 91(24): p. 6269-6271. Jamroz, M., A. Kolinski, and S. Kmiecik, CABS-flex predictions of protein flexibility compared with NMR ensembles. Bioinformatics, 2014. 30(15): p. 2150-2154. pkCSM. Pharmacokinetic properties 20.06.2022]; Available from: http://biosig.unimelb.edu.au/pkcsm/prediction. Organic Chemistry Portal. Molecular Property Explorer. 21.06.2022]; Available from: https://www.organic-chemistry.org/prog/. Swiss Institute of Bio-informatics. SwissADME. 20.06.2022]; Available from: http://www.swissadme.ch/index.php. Wang, Y., et al., In silico prediction of human intravenous pharmacokinetic parameters with improved accuracy. Journal of chemical information and modeling, 2019. 59(9): p. 3968-3980. Islam, M.A. and T.S. Pillay, Identification of promising anti-DNA gyrase antibacterial compounds using de novo design, molecular docking and molecular dynamics studies. Journal of Biomolecular Structure and Dynamics, 2020. 38(6): p. 1798-1809. Daina, A., O. Michielin, and V. Zoete, SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules. Scientific reports, 2017. 7(1): p. 1-13. Lindorff‐Larsen, K., et al., Improved side‐chain torsion potentials for the Amber ff99SB protein force field. Proteins: Structure, Function, and Bioinformatics, 2010. 78(8): p. 1950-1958. Abraham, M.J., et al., GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers. SoftwareX, 2015. 1: p. 19-25. Kumar, D., et al., Promising inhibitors of main protease of novel corona virus to prevent the spread of COVID-19 using docking and molecular dynamics simulation. Journal of Biomolecular Structure and Dynamics, 2020. 39(13): p. 4671-4685. Tumskiy, R.S. and A.V. Tumskaia, Multistep rational molecular design and combined docking for discovery of novel classes of inhibitors of SARS-CoV-2 main protease 3CLpro. Chemical Physics Letters, 2021. 780: p. 138894. Rahman, M.M., et al., Virtual screening, molecular dynamics and structure–activity relationship studies to identify potent approved drugs for Covid-19 treatment. Journal of Biomolecular Structure and Dynamics, 2021. 39(16): p. 6231-6241. Kumar, B., et al., In silico screening of therapeutic potentials from Strychnos nux-vomica against the dimeric main protease (Mpro) structure of SARS-CoV-2. Journal of Biomolecular Structure and Dynamics, 2021: p. 1-19. Gupta, S., et al., Identification of potential natural inhibitors of SARS-CoV2 main protease by molecular docking and simulation studies. Journal of Biomolecular Structure and Dynamics, 2021. 39(12): p. 4334-4345. Oprea, T.I. and H. Matter, Integrating virtual screening in lead discovery. Current opinion in chemical biology, 2004. 8(4): p. 349-358.

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    Authors: Engzell, Per; Frey, Arun; Verhagen, Mark;

    Suspension of face-to-face instruction in schools during the COVID-19 pandemic has led to concerns about consequences for students’ learning. So far, data to study this question have been limited. Here we evaluate the effect of school closures on primary school performance using exceptionally rich data from The Netherlands (n ≈ 350,000). We use the fact that national examinations took place before and after lockdown and compare progress during this period to the same period in the 3 previous years. The Netherlands underwent only a relatively short lockdown (8 wk) and features an equitable system of school funding and the world’s highest rate of broadband access. Still, our results reveal a learning loss of about 3 percentile points or 0.08 standard deviations. The effect is equivalent to one-fifth of a school year, the same period that schools remained closed. Losses are up to 60% larger among students from less-educated homes, confirming worries about the uneven toll of the pandemic on children and families. Investigating mechanisms, we find that most of the effect reflects the cumulative impact of knowledge learned rather than transitory influences on the day of testing. Results remain robust when balancing on the estimated propensity of treatment and using maximum-entropy weights or with fixed-effects specifications that compare students within the same school and family. The findings imply that students made little or no progress while learning from home and suggest losses even larger in countries with weaker infrastructure or longer school closures.

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    Authors: Edilma Bandeira de Araújo Nogueira; Marinalva da Silva Ferreira; Roza Maria Soares da Silva; Ilma Maria de Oliveira Silva;

    A obra é resultado de experiências vivenciadas no âmbito do estágio supervisionado no curso de Pedagogia da Universidade Estadual da Região Tocantina do Maranhão, em período pandêmico. Traz reflexões sobre os desafios da garantia do direito à educação bem como das implicações na formação e na prática docente durante a pandemia de covid-19.

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    Authors: Züleyha Ertan Kantos; Aslı Yurttaş; Murat Taşdan; Zuhal Topcu;

    This study, which aims to examine the distance education experiences of people who work as teachers but who are also parents during the COVID-19 pandemic uses descriptive phenomenology, an approach used in qualitative research. The analysis revealed six main themes that explain the distance education experiences of parent-teachers -- students' academic learning environment, teacher-student communication, use of EIN (education information network) and live lessons, family support, advantages and limitations of distance education, and teachers' views on distance education. The study concluded that the academic learning environment students have during distance learning is inadequate, that the quality and duration of student-teacher communication during distance learning is inadequate, that the quality of teacher-student communication favored students in private schools over teacher parent-children communication, that parent-teachers possessed negative views about distance education, and that distance learning led to unequal opportunities among students..

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    Authors: Renaldy Dwi Tama, Evi Priyanti;

    The Indonesian state is experiencing the Covid 19 Virus Pandemic which has an impact on the economy to food for the people, the government of the Republic of Indonesia has mandated national food security since 2015 with the aim that the country can survive in difficult situations such as a pandemic. The implementation of this policy has been stated through the Ministry of Agriculture with the Sustainable Food Garden (P2L) program since 2017, the District Government has only started the program since it was affected by the Covid 19 virus pandemic with Pasirkaliki Village as a pilot. Pasirkaliki Village has successfully implemented the Sustainable Food Garden Program (P2L) through planting a thousand chili seeds, the success of this implementation does not have a significant impact if you look at the initial goal of the Sustainable Food Garden program, namely food security. With the qualitative method of correlational qualitative research, researchers want to know the extent to which a variable is related to other variables. This method aims to find out whether or not there is a relationship. If so, how closely related and how significant is the relationship.

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      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ ZENODOarrow_drop_down
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