scholarly journals Key residues influencing binding affinities of 2019-nCoV with ACE2 in different species

2020 ◽  
Author(s):  
Senbiao Fang ◽  
Ruoqian Zheng ◽  
Chuqi Lei ◽  
Jianxin Wang ◽  
Ruiqing Zheng ◽  
...  
Keyword(s):  
Vaccine Development ◽  
Three Dimensional ◽  
Binding Affinities ◽  
The Novel ◽  
Human Beings ◽  
Free Energies ◽  
Binding Interface ◽  
Polar Residues ◽  
Novel Coronavirus ◽  
Key Residues

Abstract The Novel Coronavirus Disease 2019 (COVID-19) has become an international public health emergency, which poses the most serious threat to the human health around the world. Accumulating evidences have shown that the new coronavirus could not only infect human beings, but also can infect other species which might result in the cross-species infections. In this research, 1056 ACE2 protein sequences are collected from the NCBI database, and 173 species with >60% sequence identity compared with that of human beings are selected for further analysis. We find 14 polar residues forming the binding interface of ACE2/2019-nCoV-Spike complex play an important role in maintaining protein–protein stability. Among them, 8 polar residues at the same positions with that of human ACE2 are highly conserved, which ensure its basic binding affinity with the novel coronavirus. 5 of other 6 unconserved polar residues (positions at human ACE2: Q24, D30, K31, H34 and E35) are proved to have an effect on the binding patterns among species. We select 21 species keeping close contacts with human beings, construct their ACE2 three-dimensional structures by Homology Modeling method and calculate the binding free energies of their ACE2/2019-nCoV-Spike complexes. We find the ACE2 from all the 21 species possess the capabilities to bind with the novel coronavirus. Compared with the human beings, 8 species (cow, deer, cynomys, chimpanzee, monkey, sheep, dolphin and whale) present almost the same binding abilities, and 3 species (bat, pig and dog) show significant improvements in binding affinities. We hope this research could provide significant help for the future epidemic detection, drug and vaccine development and even the global eco-system protections.

scholarly journals Blocking Effect of Demethylzeylasteral on the Interaction between Human ACE2 Protein and SARS-CoV-2 RBD Protein Discovered Using SPR Technology

Molecules ◽  
2020 ◽  
Vol 26 (1) ◽  
pp. 57
Author(s):  
Zhi-Ling Zhu ◽  
Xiao-Dan Qiu ◽  
Shuo Wu ◽  
Yi-Tong Liu ◽  
Ting Zhao ◽  
...  
Keyword(s):  
Therapeutic Strategy ◽  
Blocking Effect ◽  
Spike Protein ◽  
Binding Affinities ◽  
The Novel ◽  
Converting Enzyme ◽  
Primary Method ◽  
Angiotensin Converting Enzyme 2 ◽  
Novel Coronavirus ◽  
Effective Drugs

The novel coronavirus disease (2019-nCoV) has been affecting global health since the end of 2019, and there is no sign that the epidemic is abating. Targeting the interaction between the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike protein and the human angiotensin-converting enzyme 2 (ACE2) receptor is a promising therapeutic strategy. In this study, surface plasmon resonance (SPR) was used as the primary method to screen a library of 960 compounds. A compound 02B05 (demethylzeylasteral, CAS number: 107316-88-1) that had high affinities for S-RBD and ACE2 was discovered, and binding affinities (KD, μM) of 02B05-ACE2 and 02B05-S-RBD were 1.736 and 1.039 μM, respectively. The results of a competition experiment showed that 02B05 could effectively block the binding of S-RBD to ACE2 protein. Furthermore, pseudovirus infection assay revealed that 02B05 could inhibit entry of SARS-CoV-2 pseudovirus into 293T cells to a certain extent at nontoxic concentration. The compoundobtained in this study serve as references for the design of drugs which have potential in the treatment of COVID-19 and can thus accelerate the process of developing effective drugs to treat SARS-CoV-2 infections.

scholarly journals SARS-CoV-2 and Coronavirus Disease 2019: What We Know So Far

Pathogens ◽  
2020 ◽  
Vol 9 (3) ◽  
pp. 231 ◽  
Author(s):  
Firas A. Rabi ◽  
Mazhar S. Al Zoubi ◽  
Ghena A. Kasasbeh ◽  
Dunia M. Salameh ◽  
Amjad D. Al-Nasser
Keyword(s):  
Vaccine Development ◽  
Current Knowledge ◽  
Treatment Options ◽  
The Novel ◽  
Clinical Criteria ◽  
Health Authorities ◽  
Close Relationship ◽  
Public Health Authorities ◽  
Molecular Information ◽  
Novel Coronavirus

In December 2019, a cluster of fatal pneumonia cases presented in Wuhan, China. They were caused by a previously unknown coronavirus. All patients had been associated with the Wuhan Wholefood market, where seafood and live animals are sold. The virus spread rapidly and public health authorities in China initiated a containment effort. However, by that time, travelers had carried the virus to many countries, sparking memories of the previous coronavirus epidemics, severe acute respiratory syndrome (SARS) and Middle East respiratory syndrome (MERS), and causing widespread media attention and panic. Based on clinical criteria and available serological and molecular information, the new disease was called coronavirus disease of 2019 (COVID-19), and the novel coronavirus was called SARS Coronavirus-2 (SARS-CoV-2), emphasizing its close relationship to the 2002 SARS virus (SARS-CoV). The scientific community raced to uncover the origin of the virus, understand the pathogenesis of the disease, develop treatment options, define the risk factors, and work on vaccine development. Here we present a summary of current knowledge regarding the novel coronavirus and the disease it causes.

scholarly journals Molecular interaction and inhibition of SARS-CoV-2 binding to the ACE2 receptor

2020 ◽  
Vol 11 (1) ◽  
Author(s):  
Jinsung Yang ◽  
Simon J. L. Petitjean ◽  
Melanie Koehler ◽  
Qingrong Zhang ◽  
Andra C. Dumitru ◽  
...  
Keyword(s):  
Binding Pocket ◽  
Living Cells ◽  
Host Cells ◽  
The Novel ◽  
Angiotensin Converting Enzyme 2 ◽  
Force Microscopy ◽  
Binding Interface ◽  
Atomic Force ◽  
Viral Glycoproteins ◽  
Novel Coronavirus

Abstract Study of the interactions established between the viral glycoproteins and their host receptors is of critical importance for a better understanding of virus entry into cells. The novel coronavirus SARS-CoV-2 entry into host cells is mediated by its spike glycoprotein (S-glycoprotein), and the angiotensin-converting enzyme 2 (ACE2) has been identified as a cellular receptor. Here, we use atomic force microscopy to investigate the mechanisms by which the S-glycoprotein binds to the ACE2 receptor. We demonstrate, both on model surfaces and on living cells, that the receptor binding domain (RBD) serves as the binding interface within the S-glycoprotein with the ACE2 receptor and extract the kinetic and thermodynamic properties of this binding pocket. Altogether, these results provide a picture of the established interaction on living cells. Finally, we test several binding inhibitor peptides targeting the virus early attachment stages, offering new perspectives in the treatment of the SARS-CoV-2 infection.

scholarly journals Microbes, Clinical trials, Drug Discovery, and Vaccine Development: The Current Perspectives

2021 ◽  
Vol 4 (4) ◽  
pp. 311-323
Author(s):  
Venkataramana Kandi ◽  
Tarun Kumar Suvvari ◽  
Sabitha Vadakedath ◽  
Vikram Godishala
Keyword(s):  
Drug Discovery ◽  
Genetic Variants ◽  
Vaccine Development ◽  
Treatment Options ◽  
Morbidity And Mortality ◽  
Therapeutic Interventions ◽  
Multi Drug Resistance ◽  
The Novel ◽  
Normal Human ◽  
Novel Coronavirus

Because of the frequent emergence of novel microbial species and the re-emergence of genetic variants of hitherto known microbes, the global healthcare system, and human health has been thrown into jeopardy. Also, certain microbes that possess the ability to develop multi-drug resistance (MDR) have limited the treatment options in cases of serious infections, and increased hospital and treatment costs, and associated morbidity and mortality. The recent discovery of the novel Coronavirus (n-CoV), the Severe Acute Respiratory Syndrome CoV-2 (SARS-CoV-2) that is causing the CoV Disease-19 (COVID-19) has resulted in severe morbidity and mortality throughout the world affecting normal human lives. The major concern with the current pandemic is the non-availability of specific drugs and an incomplete understanding of the pathobiology of the virus. It is therefore important for pharmaceutical establishments to envisage the discovery of therapeutic interventions and potential vaccines against the novel and MDR microbes. Therefore, this review is attempted to update and explore the current perspectives in microbes, clinical research, drug discovery, and vaccine development to effectively combat the emerging novel and re-emerging genetic variants of microbes.

scholarly journals Psychological Strategies for Maintaining Mental Health During the Coronavirus 2019 Pandemic

2021 ◽  
Vol 10 ◽  
Author(s):  
Mahdiyeh Sarraf-Razavi ◽  
Seyyed Mohammad Tabatabaei ◽  
Mahboubeh Eslamzadeh ◽  
Marjan Moradi ◽  
Zhaleh Feyzi ◽  
...  
Keyword(s):  
Mental Health ◽  
Social Support ◽  
Healthy Lifestyle ◽  
The Elderly ◽  
World Health ◽  
The Novel ◽  
Human Beings ◽  
Individual Care ◽  
Novel Coronavirus ◽  
Health Organization

The infection caused by the novel coronavirus (COVID-19) started from China and spread out to the whole world, and became a pandemic as the world health organization declared. COVID-19 has caused many challenges in all aspects of life, including mental health for the entire human beings. The current study has reviewed some important strategies based on individual care and social support. Maintaining healthy lifestyle and doing regular life activities such as enough sleeping, doing art, listening to music, doing yoga, and meditation could be practical for individual care. Some social support strategies may include talking to trusty people or counselors to share emotions, keeping in touch with family, friends, and colleagues, supporting people via calls and texts warmly, and taking care of the elderly, children, and especially medical workers. [GMJ.2021;10:e2008]

scholarly journals The Global War Against the Novel Coronavirus Enemy: What Is COVID-19? Of Course, Nothing Is Certain Yet

2020 ◽  
Vol 8 (2) ◽  
pp. 26
Author(s):  
Elham F. Mohamed ◽  
Gamal Awad
Keyword(s):  
Vaccine Development ◽  
World Health ◽  
The Novel ◽  
Who Guidelines ◽  
Comprehensive Knowledge ◽  
Academic Researchers ◽  
Definition Of ◽  
Novel Coronavirus ◽  
Health Organization ◽  
Global War

In this review, the new Coronavirus (COVID-19) pandemic problem was discussed. This concept was covered via answer the comment questions about the new COVID-19 problems. The main objective of this review is to supply a comprehensive knowledge in the definition of COVID-19, Corona virus concept, discusses the infection common symptoms, the transmission, diagnosis, and management of COVID-19. Finally, we provide a tool and recommendations to avoid infection spread. In this review, we collected data from diverse research reports such as the World Health Organization (WHO), guidelines and other articles. Because of the wide and fast spread of the virus, academic researchers, environmental scientists, antiviral designs, vaccine development against the virus and providers of health care are expected to acquire current information and future outlooks of the new pandemic coronavirus.

The insights of novel coronavirus disease 2019 (COVID-19): Current understanding, research and therapeutic updates

2021 ◽  
Vol 15 ◽  
Author(s):  
Dudala Sai Sushma ◽  
Varun Jaiswal ◽  
Arvind Verma ◽  
Asha Sharma ◽  
Tarun Pal
Keyword(s):  
Vaccine Development ◽  
Current Understanding ◽  
Effective Vaccine ◽  
The Novel ◽  
Biological Drugs ◽  
Plasma Therapy ◽  
Approaches To Study ◽  
Public Repositories ◽  
Novel Coronavirus ◽  
Patented Inventions

Background: Humans can be infected with various coronaviruses that cause serious illness and death. One such pandemic strain of coronavirus was recently identified in December 2019 and lead to a devastating outbreak in Wuhan city of China. It is caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). It is highly contagious which causes symptoms such as fever, cough and shortness of breath. Objective: The objective of this review is to highlight the current understanding, research and therapeutic updates of the novel coronavirus disease 2019 (COVID-19). Methods: A thorough literature search was conducted for research papers and patents in context to COVID-19. All articles with respect to this subject was taken from various public repositories such as Google Scholar, Pubmed, ScienceDirect (Elsevier), Springer, Web of Science, etc. Results: The present analysis showed that key areas of the inventions were the vaccines and diagnostic kits apart from the composition for the treatment of CoV. It was also observed that no specific vaccine treatments are available for the treatment of 2019-nCov; however, developing novel chemical or biological drugs and kits for early diagnosis, prevention, and disease management is the primary governing topic among the patented inventions. The present study also indicates potential research opportunities for the future, particularly to combat 2019-nCoV. The current focus of the researches has turned towards developing four potential treatments including development of candidate vaccine, development of novel potential drugs, repurposing of existing drugs and development of convalescent plasma therapy. The PCR based diagnosis is the gold standard for the COVID-19 testing but it require resource time, expertise and high associated cost hence the researchers are also developing different diagnosis methods for the COVID-19. Although vaccines are being developed by various companies and have passed the pre-clinical stages but still there exists no guarantee for these to become the effective vaccine. The current treatments which are being used for COVID-19 patients are not well established and have limited success. Conclusion: The pandemic has challenged the medical, economic and public health infrastructure across globe. There is urgent need to explore all available and possible methods/approaches to study this disease for drug and vaccine development at the earliest.

scholarly journals COVID-19 and Extracellular Vesicles: An Intriguing Interplay

2020 ◽  
Vol 45 (5) ◽  
pp. 661-670
Author(s):  
Gabriella Pocsfalvi ◽  
Ramila Mammadova ◽  
Ana Paulina Ramos Juarez ◽  
Ramesh Bokka ◽  
Francesco Trepiccione ◽  
...  
Keyword(s):  
Extracellular Vesicles ◽  
Viral Entry ◽  
Viral Infections ◽  
Vaccine Development ◽  
Antiviral Drug ◽  
The Novel ◽  
Health Crisis ◽  
Cargo Delivery ◽  
The Many ◽  
Novel Coronavirus

Background: The outbreak of severe acute respiratory syndrome β-coronavirus 2 (SARS-CoV-2) has the potential to become a long-lasting global health crisis. The number of people infected with the novel coronavirus has surpassed 22 million globally, resulting in over 700,000 deaths with more than 15 million people having recovered (https://covid19.who.int). Enormous efforts are underway for rapid vaccine and treatment developments. Amongst the many ways of tackling the novel coronavirus disease 2019 (COVID-19) pandemic, extracellular vesicles (EVs) are emerging. Summary: EVs are lipid bilayer-enclosed structures secreted from all types of cells, including those lining the respiratory tract. They have established roles in lung immunity and are involved in the pathogenesis of various lung diseases, including viral infection. In this review, we point out the roles and possible contribution of EVs in viral infections, as well as ongoing EV-based approaches for the treatment of COVID-19, including clinical trials. Key Messages: EVs share structural similarities to viruses and recent findings demonstrate that viruses exploit EVs for cellular exit and EVs exploit viral entry mechanisms for cargo delivery. Moreover, EV-virus interplay could be exploited for future antiviral drug and vaccine development. EV-based therapies, especially the mesenchymal stem cell-derived EVs, are being intensively studied for the treatment of COVID-19.

scholarly journals Characterizing altruistic motivation in potential volunteers for SARS-CoV-2 challenge trials

2021 ◽  
Author(s):  
Sophie M Rose ◽  
Virginia L Schmit ◽  
Thomas C Darton ◽  
Nir Eyal ◽  
Monica Magalhaes ◽  
...  
Keyword(s):  
Large Scale ◽  
Vaccine Development ◽  
The Novel ◽  
Ethical Concerns ◽  
Risk Seeking ◽  
Economic Vulnerability ◽  
Large Scale Survey ◽  
Novel Coronavirus ◽  
Scientific Questions ◽  
Special Indication

AbstractIn human challenge trials, volunteers are deliberately infected with a pathogen to accelerate vaccine development and answer key scientific questions. In the U.S., preparations for challenge trials with the novel coronavirus are complete, and in the U.K., challenge trials have recently begun. However, ethical concerns have been raised about the potential for invalid consent or exploitation. These concerns largely reflect worries that challenge trial volunteers may be unusually risk-seeking or too economically vulnerable to refuse the payments these trials provide, rather than being motivated primarily by altruistic goals. We conducted the first large-scale survey of intended human challenge trial volunteers and found that SARS-CoV-2 challenge trial volunteers exhibit high levels of altruistic motivations without any special indication of poor risk perception or economic vulnerability. Findings indicate that challenge trials with the novel coronavirus can attract volunteers with background conditions, attitudes, and motivations that should allay key ethical concerns.

scholarly journals The Novel Coronavirus Disease-COVID-19: Pandemic and Its Impact on Environment

2020 ◽  
pp. 13-21
Author(s):  
Mayur Gautam ◽  
Sneha Kumari ◽  
Shrestha Gautam ◽  
Ranjay Kumar Singh ◽  
R. S. Kureel
Keyword(s):  
Fossil Fuels ◽  
Human Movement ◽  
Health Centers ◽  
The Novel ◽  
Human Beings ◽  
Central Pollution Control Board ◽  
Normal Water ◽  
Novel Coronavirus ◽  
Positive Effect

The global disturbance caused by the COVID-19 pandemic has resulted in a number of effects and impacts on human beings and environment. The widespread coronavirus has caused diminishment worldwide in human lives and financial movement, inspite of the fact that typically major cause for concern, the inclining down of human movement and intervention shows a positive effect on the environment and climate. Industrial and transport outflows effluents have decreased measurable data bolsters the clearing of toxins and contamination in the air, soil and water. This impact is additionally in differentiate to carbon outflows, which was shot up by 5 percent after the worldwide financial related crash over a decade prior. As a result of boost investing on fossil fuels utilize to kick begin the worldwide economy. Water bodies have too been clearing and the Yamuna and Ganga as well as other rivers have seen critical advancement since the authorization of across and complete nationwide lockdown from 23rd March to 3rd June, 2020 as well as partial lockdown thereafter. Concurring to the real-time water observing information the normal water quality of 27 focuses of the Ganga seen in later days is reasonable for washing and proliferation of natural life and fisheries. Apart human lives, it has also been discussed that how to save our nature and environment by lockdown habit and guidelines need to be issued by Central Pollution Control Board disposed of precautionary material like gloves, mask, sanitizers and biomedical waste of medical health centers and quarantine centers.

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