In Silico Study of Pubchem Compounds for Solanum torvum as Antiviral Agent against SARS-CoV-2

Background: The recent epidemic outbreak of a novel coronavirus called SARS-CoV-2 has caused suffering among many people in the form of respiratory tract infection. Currently, there are no targeted drugs, and effective treatment options remain limited. Objective: In order to rapidly discover new compounds for clinical purposes, in silico drug design and virtual drug screening have been initiated to identify new drug leads that target the main protease of the COVID-19 virus. Mpro is a key CoV enzyme, which plays a pivotal role in mediating viral replication and transcription, making it an attractive drug target for this virus. Methods: The present study was done to investigate the PubChem compounds of an ayurvedic herb Solanum torvum as an effective antiviral agent against COVID-19. The PubChem compounds like Torvoside H, Torvoside A, Torvoside E, Torvoside F, Torvonin A, 2,3,4-trimethyltriacontane, Torvanol A Q27134802, 5-hexatriacontanone, Jurubine, Tritriacontan-3-one, Torvanol A, Chlorogenone Spirostane-3,6-dione of Solanum torvum were downloaded from NCBI PubChem database acting as ligands for protein ligand docking. The 3D structure of the viral MPro (PDB ID: 6yb7) was retrieved from the RCSB PDB database. The active sites and binding sites were analyzed, and Docking molecular simulations were realized among a total of 12 ligands against COVID-19. Results: The PubChem compounds from the fruits of Solanum torvum showed good docking score and protein-ligand interaction, indicating that the PubChem compounds can cure the COVID-19 disease and act as an effective antiviral agent. Conclusion: Most of the PubChem compounds in the fruits of Solanum torvum showed better paramagnetic parameters.

The Role of Molecular Modeling and Bioinformatics in Treating a Pandemic Disease: The Case of COVID-19

The COVID-19 pandemic first appeared in Wuhan, China, in December 2019 in a cluster of pneumonia patients. The causative agent was found to be SARS-CoV-2. Here, we are summarizing current treatment strategies and highlighting the role of bioinformatics, molecular modeling, and structural biology during the COVID-19 pandemic. There are different pharmacological treatments, mostly repurposed drugs, employed for the treatment of COVID-19, including antiviral drugs, corticosteroids, biologic drugs, antibiotics, antifungal agents, and anticoagulants. Some immune-based therapies are also under evaluation, including convalescent plasma, IL-1, IL-6 inhibitors, and interferons. Different bioinformatics networks are established to provide information about the structure, transcriptome, and pathogenicity of the virus. The genotyping analysis for SARS-CoV-2 is also useful in identifying different mutations, SNPs, and conservative domains along the viral genome. Cryo-EM and X-ray diffraction had a crucial role in determining the structure of viral proteins such as spike (S) protein, main protease, and RdRp. NMR had a minor role and determining the structure of nucleocapsid (N) protein only. Several docking studies were performed to predict the interaction of certain FDA-approved drugs with known efficacy and toxicity, while others used natural products. Among different study types, in silico drug prediction and repurposing have the lowest risk with less off-target results. Therefore, bioinformatics and in silico studies have an important role during pandemics in providing information about viral structure and function and predicting potential treatments.

SARS-CoV-2 Therapeutic Landscape, Opportunity and Future Threats

During the past two decades, the world has seen several known and novel zoonotic viruses and deadly bacterial diseases, such as West Nile Virus (1999 to 2002), Anthrax (2001), H1N1(2009), Ebola (2014), Zika Virus (2016), SARS-CoV (2002), MERS-CoV (2012) and SARS-CoV-2 in 2019. The current ongoing COVID-19 pandemic is completely unpredicted and it has hugely changed our health care systems, global economy and social lifestyles. SARS-CoV-2 is still under genetic evolution and getting mutated to escape our immune system and showing resistance against available therapies. In this current research work, we have examined all publicly available scientific literature to date to understand the genetic evaluation of coronavirus species and their transmission possibilities to humans. We have also explored recently reported mutations of concerns in viral spike glycoprotein. We then discussed various SARS-CoV-2 preclinical and clinical research breakthroughs and highlighted our limitations and readiness to combat this deadly disease. Based on our recent study, we have emphasized developing a global viral, fungi and microbes platform. It can help us to predict mutations on their genomic, structural and pathophysiological profile to better address early on future threats by such infectious agents.

COVID-19 Outbreak in India: A Review of Preventive Measures and Challenges during the First Wave

Coronavirus disease 2019 (COVID-19) cases in India, the world's second most populous country, have been increasing rapidly in recent months, challenging India's ability to deal with this viral pandemic. The Government of India (GoI) and the States/UTs have taken a number of “pre-emptive, pro-active and graded” measures to prevent, contain, and manage COVID-19 in the country. These preventive measures and decisions taken by the GoI helped to stem the first wave of COVID-19 in the nation. Such measures and decisions were reviewed and monitored on a regular basis. The GoI followed a graded response approach, and ensured that there is no shortage of supplies of critical items, including medical Personal Protective Equipment (PPE), N95 masks, test kits, medications, and ventilators, across the country. The government ensured the establishment of COVID-19 hospitals at both the Center and the State to take care of the infected patients. Nations like India are at higher risk due to their large population density, inadequate infrastructure, and healthcare systems to satisfy extremely high demands.

Impact of SARS-CoV-2 Mutations on Global Travel and the Increasing Number of Re-Infections: A Risk-Assessment Perspective

The outbreak of coronavirus disease 2019 (COVID-19) has stunned the world owing to the surreal, unprecedented, and completely unbelievable manner in which it has spread globally within a short span of time. This spread has led to the common combination of variety and has promoted the passage of species blockade and genetic combination of these types of viruses. Despite the short history of the COVID-19 outbreak, with its global spread and frequent mutations, it has impacted the whole world and has become a worrying threat to the society. Scientific reports have disclosed that members of the coronavirus family, such as SARS-CoV, Middle East respiratory syndrome coronavirus (MERS-CoV), HCoV-NL63, HCoV-229E, HCoV-OC43, and HKU1 have infected the humans earlier too and that mutations in these viruses have resulted in the more complex severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). In the present review, we have discussed how scientists keep track of the genetic tweaks to SARS-CoV-2 as it spreads globally. Currently, the only way to prevent more such outbreaks is maintaining social distancing, adhering to the World Health Organization guidelines and de-globalizing the world. Genetic variations/mutations reported to date in coronaviruses hint at their cryptic spread. Scientists are scouring the viral genome for mutations that might reveal how dangerous the pathogen is or how fast it spreads. Cases have been documented in almost all countries, and the mutations in the virus have created problems for the researchers in formulating effective vaccines. Furthermore, global travel has been severely affected after the new mutants have been detected. Therefore, more scientific investigations are necessary to understand how SARS-CoV-2 is likely to mutate in the future.

Anti-COVID-19 Biomedicines - A Layout Proposal for Production, Storage and Transportation

Background: Modulation of non-specific immunity and other related activities of succulent parts of effective medicinal plants can prevent viral infections like COVID-19 through their dietary intake. Objective: The succulent parts of the medicinal plants with immunomodulation, anti-oxidation, anti-viral, anti-inflammatory, etc. power can be used orally in the capsular form to prevent as well as to reduce the severity of symptoms of COVID-19. Methods: A proposal is displayed with a detailed description of related steps like the selection of medicinal plant parts consulting related reports, collection of biomedicines, validation of efficacy, dosing, encapsulation, storage, and transportation, etc. Results: The succulent bio-medicines against COVID-19 can be developed and marketed following only some adoptive research. Conclusion: Succulent bio-medicines can be prepared and marketed for the prevention and cure of different infectious and non-infectious diseases.

The Role of Antigen Rapid Diagnostic Test in COVID-19 Diagnosis

Since the emergence of a novel infection due to the SARS-CoV-2 virus (COVID-19), the World Health Organization has urged countries to develop diagnostic tests to combat the pandemic. Molecular assays were developed following the release of the gene sequence of the virus in January 2020. Reverse transcription-quantitative PCR (RT-qPCR) is taken as the gold standard for the diagnosis of COVID-19. However, due to its limitations, highly sensitive methods for detecting antigens (antigen rapid diagnostic tests) have been developed that would help in a timely and accurate diagnosis. Antigen rapid diagnostic tests (Ag-RDTs) can help guide patient management at the point of care by random screening, re-testing, and timely decision-making in the field of public health. When the affordability and validity of the diagnostic assay are involved, no assay can show 100% correct results. Further studies need to be done to better understand the response of the Ag-RDTs in different settings. Nevertheless, Ag-RDTs can play a complementary role in the response and case management of COVID-19.

A Review Article on Vaccine Development and Therapeutics Approach Against SARS-CoV-2

In December 2019, a novel coronavirus (COVID-19) unleashed an unprecedented and unanticipated pandemic, causing widespread concern. More than three million deaths have been documented since the first incidence of COVID-19 discovered in China. Several arduous efforts have been made by the governments of various countries worldwide to prevent and control the SARS-CoV-2 infection. This review article discusses an update on all kinds of therapeutic interventions currently applied or developed to treat SARS-CoV-2 condition, including the repurposing of drugs such as Remdesivir, Favipiravir, Ivermectin, etc. We also discuss CRISPR’s potential involvement in antiviral therapy, convalescent plasma therapy, and immunomodulators in combination to tackle the cytokine storms and present a comprehensive overview on many vaccines that have been created to date or are under trials, as well as their platforms and efficacy. Moreover, this article also discusses the mechanism of action of every therapeutic intervention.

Nanotechnology-Based Weapons: A Potential Approach for COVID-19

In the last few decades, viral infections have caused a greater number of health constraints worldwide. This havoc has created challenges for the healthcare system. Since the pandemic began, COVID-19 has killed more than 2.5 million people across the world. We are still witnessing deaths daily due to the deadly virus SARS-CoV-2 which is the causative agent for COVID-19. Thus, there is an increasing concern about finding an apt way to control the spread of this virus. Recently, the application of nanotechnology-based approaches has emerged as a ground-breaking step in the medical sector owing to their potential for accurate diagnosis and specific treatment in a wide range of health problems, including viral diseases. Therefore, the implementation of nanotechnology can be an articulate strategy to confront the rising distress of COVID-19. The present review particularly emphasizes the perception of several nanoformulation-based approaches as an appropriate means to safeguard mankind against COVID-19.