scholarly journals Bioinformatic Analysis of Antiviral Medicinal Compounds Against Sars Cov-2 Proteases

Author(s):  
Fahad Hassan Shah ◽  
◽  
Kyeong Ho Lim ◽  
Song Ja Kim ◽  
◽  
...  

The world is under siege from a global pandemic caused by a novel class of coronaviruses called severe acute respiratory syndrome coronavirus-2 (SARS CoV-2). These viruses cause severe respiratory illness leading to death. Molecular studies reveal that SARS CoV-2 proteases are involved in the processing of viral polyproteins. This study was conducted to obtain antiviral agents for SARS CoV-2 proteases. An extensive library of antiviral medicinal compounds was scrutinized to determine the probable interaction with both main and 3-chymotrypsin like proteases. Six antiviral compounds (Abietic Acid, Gallic Acid, Piceatannol, Piperine, Sinomenine, and Triptolide) were capable of establishing hydrogen bonds with the active pocket residues of the viral proteases, with appreciable binding energy. These compounds were subjected to root mean square analysis and tested not only for acute toxicity, but also for absorption, distribution, metabolism, excretion, and toxicity properties. Results were favourable for use in the treatment of SARS COV-2 infection.

Molecules ◽  
2020 ◽  
Vol 25 (21) ◽  
pp. 5017 ◽  
Author(s):  
Mohammad A. I. Al-Hatamleh ◽  
Ma’mon M. Hatmal ◽  
Kamran Sattar ◽  
Suhana Ahmad ◽  
Mohd Zulkifli Mustafa ◽  
...  

The new coronavirus disease (COVID-19), caused by severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2), has recently put the world under stress, resulting in a global pandemic. Currently, there are no approved treatments or vaccines, and this severe respiratory illness has cost many lives. Despite the established antimicrobial and immune-boosting potency described for honey, to date there is still a lack of evidence about its potential role amid COVID-19 outbreak. Based on the previously explored antiviral effects and phytochemical components of honey, we review here evidence for its role as a potentially effective natural product against COVID-19. Although some bioactive compounds in honey have shown potential antiviral effects (i.e., methylglyoxal, chrysin, caffeic acid, galangin and hesperidinin) or enhancing antiviral immune responses (i.e., levan and ascorbic acid), the mechanisms of action for these compounds are still ambiguous. To the best of our knowledge, this is the first work exclusively summarizing all these bioactive compounds with their probable mechanisms of action as antiviral agents, specifically against SARS-CoV-2.


Author(s):  
Yogesh Chand Yadav ◽  
Ramakant Yadav ◽  
Sushant Kumar

The SARS-CoV-2 virus was first detected in Wuhan, China in December 2019 and was known to produce acute severe respiratory illness in humans which rapidly spread almost throughout the world within a few months. This human coronavirus has seven strains and they commonly produce illness in the nervous system, respiratory system and hepato- intestinal systems. This present review is an attempt to illustrate recent reports pertaining to the management of SARS-CoV-2. Further, it also highlights the diagnosis and clinical management of COVID-19. Various search engines like Scopus, Pubmed and WHO databases were accessed and literature on current advances about COVID-19 including structural features, replication, possible pathogenic, symptoms, diagnosis, prognosis, methods of prevention and possible therapeutic agents used for treatment of patients was reviewed. Current studies indicate that COVID-19 is very infectious with droplet transmission potential. The key modalities to prevent the infection is by keeping social distancing, respiratory/hand hygiene, detection of infection and subsequent quarantine of the infected persons. Presently, either no vaccine for prevention or specific treatments available, however, COVID-19 patients may be managed by using some repositioned drugs and symptomatic treatment.


Author(s):  
Usman M Ashraf ◽  
Ahmed A Abokor ◽  
Jonnelle M. Edwards ◽  
Emily W. Waigi ◽  
Rachel S. Royfman ◽  
...  

A novel coronavirus disease, COVID-19, has created a global pandemic in 2020, posing an enormous challenge to healthcare systems and affected communities. COVID-19 is caused by Severe Acute Respiratory Syndrome (SARS)-CoronaVirus-2 (CoV-2) that manifests as bronchitis, pneumonia, or a severe respiratory illness. SARS-CoV-2 infects human cells via binding a "spike" protein on its surface to angiotensin-converting enzyme 2 (ACE2) within the host. ACE2 is crucial for maintaining tissue homeostasis and negatively regulates the renin-angiotensin-aldosterone system (RAAS) in the humans. The RAAS is paramount for normal function in multiple organ systems including the lungs, heart, kidney, and vasculature. Given that SARS-CoV-2 internalizes via ACE2, the resultant disruption in ACE2 expression can lead to altered tissue function and exacerbate chronic diseases. The widespread distribution and expression of ACE2 across multiple organs is critical to our understanding of the varied clinical outcomes of COVID-19. This perspective review based on the current literature was prompted to show how disruption of ACE2 by SARS-CoV-2 can affect different organ systems.


Author(s):  
Dae-Kyum Kim ◽  
Jennifer J. Knapp ◽  
Da Kuang ◽  
Aditya Chawla ◽  
Patricia Cassonnet ◽  
...  

The world is facing a major health crisis, the global pandemic of COVID-19 caused by the SARS-CoV-2 coronavirus, for which no approved antiviral agents or vaccines are currently available. Here we describe a collection of codon-optimized coding sequences for SARS-CoV-2 cloned into Gateway-compatible entry vectors, which enable rapid transfer into a variety of expression and tagging vectors. The collection is freely available via Addgene. We hope that widespread availability of this SARS-CoV-2 resource will enable many subsequent molecular studies to better understand the viral life cycle and how to block it.


Author(s):  
Sarfaraz Alam Khan ◽  
Nazeem Ishrat Siddiqui

A series of acute and atypical serious respiratory illnesses were reported in December 2019 from Wuhan, a city of China. It spread to other places and became a global pandemic involving more than 200 countries of the world. Soon, it was discovered that this atypical respiratory illness was caused by a novel corona virus. It was named as the severe acute respiratory syndrome corona virus-2 (SARS-CoV-2) and the disease caused by it as corona virus disease-19 (COVID-19). Since COVID-19 is a new viral disease, world is still struggling to find out a permanent remedy to control this serious health problem. It seems prudent to study or have a look on the pathophysiology of SARS CoV-2 in the light of available research. Further, a review on pathophysiology may give an insight on the potential therapeutic options. Being a new virus and having potential to cause significant morbidity and mortality in short span of time various approved drugs are being repurposed for the treatment of COVID-19.


2020 ◽  
Vol 95 (6) ◽  
pp. 364-369
Author(s):  
Pyoeng Gyun Choe

In December 2019, a new strain of betacoronavirus, severe acute respiratory syndrome coronavirus 2, which causes coronavirus disease 2019 (COVID-19), emerged in Wuhan, China. Subsequently, the virus quickly spread worldwide and the World Health Organization declared COVID-19 a global pandemic on March 11, 2020. In response to the pandemic, many researchers are working on repurposing existing drugs to alter the course of severe COVID-19, and are testing experimental treatments. Among antiviral agents, remdesivir, an RNA-dependent RNA polymerase inhibitor, showed clinical benefit in a randomized clinical trial. In October 2020, the Food and Drug Administration approved remdesivir for treating hospitalized patients with COVID-19, making it the first drug approved for the disease. The race to produce safe, effective vaccines is also progressing at unprecedented speed, with over 200 under development and 45 candidates already being tested in human clinical trials (as of October 2020).


2020 ◽  
Vol 7 (4) ◽  
pp. 17-26
Author(s):  
Jitendra Mehta ◽  

Coronavirus disease 2019 (COVID-19) emerged in December 2019 in Wuhan, the capital of Hubei province, China. While the outbreak in China is almost over, this highly contagious disease is currently spreading across the world with a daily increase in the number of affected countries, confirmed cases, and infection-related deaths. In January, the World Health Organization (WHO) declared that the outbreak of COVID-19 constituted a Public Health Emergency of International Concern (PHEIC). Based on the high levels of global spread and the severity of COVID-19, on 11 March 2020, the Director-General of the WHO declared the COVID-19 outbreak a pandemic. COVID-19 is an acute respiratory disease caused by a newly emerged zoonotic coronavirus. A positive-sense enveloped single-stranded RNA virus, named Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2), has been isolated from a patient with pneumonia and connected to the cluster of acute respiratory illness cases from Wuhan. The virus is transmitted from human to human via droplets coughed or exhaled by infected persons and by touching droplet-contaminated surfaces or objects and then touching the eyes, nose, or mouth. Population groups that have been more frequently reported as having severe disease and a higher mortality rate include people aged over 60 years, males, people with underlying conditions such as hypertension, diabetes, cardiovascular disease, chronic respiratory disease, and cancer. Current estimates suggest a median incubation period of five to six days for COVID-19, with a range of one to 14 days. Disease-specific pharmaceuticals and vaccines are still under research and development. The therapeutic use of convalescent plasma donated by patients recovered from COVID-19 might play a role in the efforts to find a possible treatment for COVID-19. Keywords: Coronavirus, COVID-19, WHO, SARS-Cov-2, Zoonotic.


2020 ◽  
Author(s):  
Levent Çavaş ◽  
Cengizhan Dag ◽  
Miguel Carmena-Barreño ◽  
Carlos Martínez-Cortés ◽  
José Pedro Cerón-Carrasco ◽  
...  

<p>SARS-CoV-2 has been exhibiting extremely spreading property all around the world since its existence from Wuhan-China in December-2019. Although it has caused a death toll of over than 1.3 M people, no validated vaccine has been proposed yet. On the other hand, very dense studies on the vaccine development have been carrying out in some countries such as the US, Germany, UK, China and Russia. Due to side effects of current antiviral agents used in the therapy of COVID-19, there is a great need for the development of alternative compounds for this disease. Caulerpin (CPN) and caulerpenyne (CYN), predominant natural secondary metabolites from invasive marine green algae <i>Caulerpa cylindracea,</i>are proposed to neutralize the virus from two targets: spike protein (5XLR) and main protease (6YB7) in this study. The results show that the binding energies related to CPN-6YB7 and CYN-6YB7 interactions are found to be -8.02 kcal/mol and -6.83 kcal/mol, respectively. The binding energies were -9.68 kcal/mol and -7.53 kcal/mol, respectively, for CPN-5XLR and CYN-5XLR. In the molecular dynamics results, RMSD values show that CPN and CYN can form stable complexes with the proteins where CYN is more stable with 6YB7 and CPN interacts better with 5XLR. These differences seem to be based on the type of interactions of the complexes. In conclusion, caulerpin and caulerpenyne can further be investigated experimentally for their anti-SARS-CoV-2 efficiency. </p>


2020 ◽  
Author(s):  
Levent Çavaş ◽  
Cengizhan Dag ◽  
Miguel Carmena-Bargueño ◽  
Carlos Martínez-Cortés ◽  
José Pedro Cerón-Carrasco ◽  
...  

<p>SARS-CoV-2 has been exhibiting extremely spreading property all around the world since its existence from Wuhan-China in December-2019. Although it has caused a death toll of over than 1.3 M people, no validated vaccine has been proposed yet. On the other hand, very dense studies on the vaccine development have been carrying out in some countries such as the US, Germany, UK, China and Russia. Due to side effects of current antiviral agents used in the therapy of COVID-19, there is a great need for the development of alternative compounds for this disease. Caulerpin (CPN) and caulerpenyne (CYN), predominant natural secondary metabolites from invasive marine green algae <i>Caulerpa cylindracea,</i>are proposed to neutralize the virus from two targets: spike protein (5XLR) and main protease (6YB7) in this study. The results show that the binding energies related to CPN-6YB7 and CYN-6YB7 interactions are found to be -8.02 kcal/mol and -6.83 kcal/mol, respectively. The binding energies were -9.68 kcal/mol and -7.53 kcal/mol, respectively, for CPN-5XLR and CYN-5XLR. In the molecular dynamics results, RMSD values show that CPN and CYN can form stable complexes with the proteins where CYN is more stable with 6YB7 and CPN interacts better with 5XLR. These differences seem to be based on the type of interactions of the complexes. In conclusion, caulerpin and caulerpenyne can further be investigated experimentally for their anti-SARS-CoV-2 efficiency. </p>


2020 ◽  
Author(s):  
Sandeep Chakraborty

‘Nipah virus is a biosafety level 4 (BSL-4) pathogen that causes severe respiratory illness and encephalitis in humans’ [1] that orginates in bats [2]. It was first isolated in Malaysia and Singapore in 1999 - ‘late September 1998 and by mid-June 1999, more than 265 encephalitis cases, including 105 deaths, had been reported in Malaysia, and 11 cases of encephalitis or respiratory illness with one death had been reported in Singapore’ [3]. It keeps recurring in Bangladesh [4]. There was a 2018 outbreak in Kerala, India [5]. There seems to have been a simultaneous outbreak in Wuhan during Covid19 - which never got reported, and apparently resolved by itself.Metagenome from the bronchoalveolar lavage fluid of 5 Covid19 [6–8] patients from Wuhan (Accid:PRJNA605983) which showed very little SAR-Cov2 viral load (in the tens per million reads) in my analysis earlier [9].The metagenome also shows the co-infection with Nipah henipavirus virus in 4 out of 5 patients. The sequences are in SI:Nipah.fa - 167 reads in all.One can almost assemble the full genome (about 18kbps) from it. It seems to have originated from Bangladesh, though I have not done the phylogeny. Most reads are 100% identical, but some are (97% - 145/150).Maybe, we have looking for the wrong virus in the rest of the world - since Nipah is endemic to Southeast Asia, which seems to have been the least affected in Covid19.


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