scholarly journals Canthin-6-One 9-O-Beta-Glucopyranoside: an inhibitor of SARS-CoV-2 (COVID 19) proteases PLpro and Mpro/ 3CLpro

2020 ◽  
Author(s):  
Devvret Verma ◽  
Debasis Mitra ◽  
Anshul Kamboj ◽  
Bhaswatimayee Mahakur ◽  
Priya Chaudhary ◽  
...  
Keyword(s):  
Public Health ◽  
Molecular Docking ◽  
Binding Energy ◽  
Public Health Issue ◽  
Global Public Health ◽  
Sophora Flavescens ◽  
Main Protease ◽  
Rapid Spread ◽  
Brain Barrier Permeability ◽  
Gi Absorption

Abstract The rapid spread of SARS-CoV-2 has raised a severe global public health issue, where therapy is not identified with specific drugs or vaccines. The present investigation dealt with the inhibition of various proteins and receptors of virus using phytocompounds of three pertinent medicinal plants i.e. Eurycoma harmandiana, Sophora flavescens and Andrographis paniculata. Phytocompounds known to have antiviral properties were screened against the papain-like protease (PLpro) and main protease (Mpro) / 3-chymotrypsin-like Protease (3CLpro). Molecular docking with Canthin-6-One 9-O-Beta-Glucopyranoside showed the highest binding affinity and least binding energy with both the proteases viz. PLpro and Mpro/ 3CLpro. ADMET analysis of the compound suggested that it is having drug-like properties like high gastrointestinal (gi-) absorption, no blood-brain barrier permeability, and high lipophilicity.

scholarly journals A Computational Study to Identify Potential Inhibitors of SARS-CoV-2 Main Protease (Mpro) from Eucalyptus Active Compounds

Computation ◽  
2020 ◽  
Vol 8 (3) ◽  
pp. 79
Author(s):  
Ibrahim Ahmad Muhammad ◽  
Kanikar Muangchoo ◽  
Auwal Muhammad ◽  
Ya’u Sabo Ajingi ◽  
Ibrahim Yahaya Muhammad ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Binding Energy ◽  
Computational Study ◽  
Md Simulations ◽  
Binding Energies ◽  
Drug Candidate ◽  
Global Public Health ◽  
Main Protease ◽  
Poisson Boltzmann ◽  
Potential Inhibitors

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) was found to be a severe threat to global public health in late 2019. Nevertheless, no approved medicines have been found to inhibit the virus effectively. Anti-malarial and antiviral medicines have been reported to target the SARS-CoV-2 virus. This paper chose eight natural eucalyptus compounds to study their binding interactions with the SARS-CoV-2 main protease (Mpro) to assess their potential for becoming herbal drugs for the new SARS-CoV-2 infection virus. In-silico methods such as molecular docking, molecular dynamics (MD) simulations, and Molecular Mechanics Poisson Boltzmann Surface Area (MM/PBSA) analysis were used to examine interactions at the atomistic level. The results of molecular docking indicate that Mpro has good binding energy for all compounds studied. Three docked compounds, α-gurjunene, aromadendrene, and allo-aromadendrene, with highest binding energies of −7.34 kcal/mol (−30.75 kJ/mol), −7.23 kcal/mol (−30.25 kJ/mol), and −7.17 kcal/mol (−29.99 kJ/mol) respectively, were simulated with GROningen MAchine for Chemical Simulations (GROMACS) to measure the molecular interactions between Mpro and inhibitors in detail. Our MD simulation results show that α-gurjunene has the strongest binding energy of −20.37 kcal/mol (−85.21 kJ/mol), followed by aromadendrene with −18.99 kcal/mol (−79.45 kJ/mol), and finally allo-aromadendrene with −17.91 kcal/mol (−74.95 kJ/mol). The findings indicate that eucalyptus may be used to inhibit the Mpro enzyme as a drug candidate. This is the first computational analysis that gives an insight into the potential role of structural flexibility during interactions with eucalyptus compounds. It also sheds light on the structural design of new herbal medicinal products against Mpro.

scholarly journals Policies for tackling health inequities in migrants in an irregular situation: learning from Italy

2019 ◽  
Vol 29 (Supplement_4) ◽  
Author(s):  
F Sesti ◽  
A Rosano ◽  
D Ingleby ◽  
G Baglio ◽  
R Bell ◽  
...  
Keyword(s):  
Public Health ◽  
Health Care ◽  
Health Policies ◽  
Public Health Issue ◽  
Global Public Health ◽  
Integration Policy ◽  
Access To Health Services ◽  
Human Right ◽  
Access To Health

Abstract Issue With increasing of numbers of people moving in Europe and around the world, the health of migrants has become a key global public-health issue. Migrants in an irregular situation (MIS) represent an important part of the migration phenomenon, whether they have become irregular by entering a country without authorisation or by overstaying a visa, including whose applied unsuccessfully for asylum. Description of the problem Overstaying of visas is not unusual in EU countries and during 2015 and 2016 in particular, many countries experienced a large number of unauthorised entrants. Health policies for MIS are increasingly a matter of concern. Using the 2015 Migrant Integration Policy Index Health strand (MIPEX HS) it is possible to conduct an analysis of health policies, focusing on access to health services by MIS. Results Among the 34 European countries covered by the MIPEX HS, Italy’s overall score of 65 is exceeded only by Switzerland (70) and Norway (67). Averaging the indicators of access for MIS, Italy obtains the highest score (83), followed by Denmark, France, the Netherlands, Romania, Spain, Sweden and Switzerland with 67. Its score for legal entitlements to health care is 75 (the same as Sweden), while reporting of MIS to the immigration authorities is prohibited and there are no sanctions against helping them. However, legislation introduced by the new government in 2018 has restricted some of their rights. Lessons Current migration to Europe requires dealing with short-term health needs as well as strengthening public health and health systems in the long term. This presentation will discuss the lessons that can be learned from the comparative analysis of health policies for MIS using the MIPEX HS. Key messages Affordable health care is a human right, which should not be denied to any migrant. Policy analysis plays a key role in identifying interventions for promoting health equity.

scholarly journals Clinical Leadership and Management Perceptions of Inpatients with Obesity: An Interpretative Phenomenological Analysis

2020 ◽  
Vol 17 (21) ◽  
pp. 8123
Author(s):  
Danielle Hitch ◽  
Fiona Pazsa ◽  
Alison Qvist
Keyword(s):  
Public Health ◽  
Interpretative Phenomenological Analysis ◽  
Phenomenological Analysis ◽  
Public Health Issue ◽  
Global Public Health ◽  
Perceptions And Attitudes ◽  
Potential Impact ◽  
Personal Understanding ◽  
Professional Perceptions ◽  
Perceptions Of Care

While obesity is recognized as a key global public health issue, there has been no research to date on the perceptions of care for people with this condition held by individuals in positions of organizational power. The aim of this study was therefore to describe the perceptions and experiences of clinical leaders and managers of providing care to inpatients with obesity at a metropolitan public health service. This study applied an interpretative phenomenological analysis (IPA) approach to qualitative research, conducting interviews with 17 participants. Their perceptions of care for inpatients with obesity encompassed both their personal understanding as an individual, and their observations about the organizational, patient and carer perspectives. Three overall themes were identified: (1) the problem of inpatients with obesity, (2) inpatients with obesity as sources of risk and (3) personal and professional perceptions of inpatients with obesity. While clinical leaders and managers were aware of the potential impact of stigma and weight bias on care given to this cohort, elements of implicit bias, stereotyping, “othering” and ambivalence were frequently present in the data. Ongoing efforts to improve care for patients with obesity must therefore include efforts to address perceptions and attitudes at all organisational levels of the workforce.

In Silico Discovery of Novel Inhibitors Against Main Protease (Mpro) of SARS-CoV-2 Using Pharmacophore and Molecular Docking Based Virtual Screening from ZINC Database

2020 ◽  
Author(s):  
Zeshan Haider ◽  
Muhammad Muneeb Subhani ◽  
Muhammad Ansar Farooq ◽  
Maryum Ishaq ◽  
Maryam Khalid ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Binding Energy ◽  
Effective Vaccine ◽  
Ligand Complex ◽  
Online Tool ◽  
Public Health Emergencies ◽  
Main Protease ◽  
Zinc Database ◽  
Recent Outbreak ◽  
Selection Of

Recent outbreak of Coronavirus Disease 2019 (COVID-19) caused by a novel ‘SARS-CoV-2’ virus resulted public health emergencies across the world. An effective vaccine to cure this virus is not yet available, thus requires concerted efforts at various scales. In this study, we employed Computer Aided Drug Design (CADD) based approach to identify the drug-like compounds - inhibiting the replication of main protease (Mpro) of SARS-CoV-2. Our database search using online tool “ZINC pharmer” retrieved ~1500 compounds based on pharmacophore features. Lipinski’s rule was applied to further evaluate the drug-like compounds, followed by molecular docking-based screening, and the selection of screening ligand complex with Mpro based on S-score (higher than reference inhibitor) and root-mean-square deviation (RMSD) value (less than reference inhibitor) using Molecular Operating Environment (MOE) system. Resultantly, ~200 compounds were identified having strong interaction with Mpro of SARS-CoV-2. After evaluating their binding energy using the MOE LigX algorithm, three compounds (ZINC20291569, ZINC90403206, ZINC95480156) were identified that showed highest binding energy with Mpro of SARS-CoV-2 and strong inhibition effect than the reference inhibitor. It is suggested that these candidate “drug-like compounds” have greater potential to stop the replication of SARS-CoV-2, hence might lead to the cure of COVID-19.

scholarly journals The prevention of female genital mutilation in England: what can be done?

2018 ◽  
Vol 41 (3) ◽  
pp. e261-e266 ◽  
Author(s):  
E Plugge ◽  
S Adam ◽  
L El Hindi ◽  
J Gitau ◽  
N Shodunke ◽  
...  
Keyword(s):  
Public Health ◽  
Female Genital Mutilation ◽  
Public Health Issue ◽  
Global Public Health ◽  
Criminal Offence ◽  
Genital Mutilation ◽  
Awareness Raising ◽  
The Uk ◽  
The Impact ◽  
Female Genital

Abstract Background Female genital mutilation (FGM) is a global public health issue. Women in the UK are at risk of FGM and its adverse health consequences but little is known about its practice. Since 1985 it has been a criminal offence to perform FGM in the UK and further legislation has tightened the law but FGM continues. Methods Four community researchers from the Kenyan, Nigerian, Somalian and Sudanese communities in Oxford conducted focus groups and interviews with 53 people to understand the communities’ beliefs about how best to prevent FGM. Results Participants believed that the current UK legislation alone was not sufficient to tackle FGM and might in fact be counterproductive by alienating communities through its perceived imposition. They felt that there had been insufficient consultation with affected communities, awareness raising and education about the legislation. Community-led solutions were the most effective way to tackle FGM. Conclusions FGM adversely affects communities globally. In the UK, researchers from affected communities gathered data demonstrating the feasibility and importance of involving communities in FGM prevention work. Further research is needed to understand how best to prevent FGM in affected communities and, very importantly, to examine the impact of the UK legislation relating to FGM.

scholarly journals Clinical Leadership and Management Perceptions of Inpatients with Obesity: An Interpretative Phenomenological Analysis

2020 ◽  
Author(s):  
Danielle Hitch ◽  
Fiona Pazsa ◽  
Alison Qvist
Keyword(s):  
Public Health ◽  
Interpretative Phenomenological Analysis ◽  
Phenomenological Analysis ◽  
Public Health Issue ◽  
Global Public Health ◽  
Perceptions And Attitudes ◽  
Potential Impact ◽  
Personal Understanding ◽  
Professional Perceptions ◽  
Perceptions Of Care

While obesity is recognized as a key global public health issue, there has been no research to date on the perceptions of care for people with this condition held by individuals in positions of organizational power. The aim of this study was therefore to describe the perceptions and experiences of clinical leaders and managers of providing care to inpatients with obesity at a metropolitan public health service. This study applied an interpretative phenomenological analysis (IPA) approach to qualitative research, conducting interviews with 17 participants. Their perceptions of care for inpatients with obesity encompassed both their personal understanding as an individual, and their observations about the organizational, patient and carer perspectives. Three overall themes were identified: 1) The problem of inpatients with obesity, 2) Inpatients with obesity as sources of risk and 3) Personal and professional perceptions of inpatients with obesity. While clinical leaders and managers were aware of potential impact of stigma and weight bias on the care given to this cohort, elements of implicit bias, stereotyping, ‘othering’ and ambivalence were frequently present in the data. Ongoing efforts to improve care for patients with obesity must therefore include efforts to address perceptions and attitudes at all organisational levels of the workforce.

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