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First case of severe acute respiratory syndrome coronavirus-2 was detected in Wuhan province of china. Within a year, the vaccine development process accelerated and emergency approval was rolled out for vaccines. Covishield, an adenovirus vector-based vaccine manufactured by Serum Institute of India, was granted emergency use approval by the subject expert committee under Drug Controller General of India in India in the month of January. Numerous adverse effects are still under study following vaccination. Among them, a very rare complication reported is Guillain-Barre syndrome (GBS). The relation between coronavirus disease 19 (COVID-19) vaccine and GBS is still not clear. Here, we present a case of a 32-year-old female with no comorbidities, presented with complaints of bilateral weakness in lower limbs which gradually progressed to upper limbs along with bilateral facial palsy. She had taken her first shot of Covishield vaccine last month. She has no risk factors for GBS, which suggests that it was caused by the vaccine. She was admitted to intensive care unit for further management. This report might help physicians to be more vigilant in evaluating GBS cases especially in the current COVID-19 pandemic era. [ABSTRACT FROM AUTHOR]

SARS-CoV-2 has mutated rapidly since its first case report in Wuhan, China, leading to the emergence of an indefinite number of variants. India has witnessed three waves of the COVID-19 pandemic. The country saw its first wave of SARS-CoV-2 illness from late January 2020 to February 2021. With a peak surge of cases in midSeptember 2020, India recorded more than 11 million cases and a death toll of more than 0.165 million at this time. India faced a brutal second wave driven by the emergence of highly infectious SARS-CoV-2 variants B.1.617.2 (Delta variant) and the third wave with the leading cause of BA.2 (Omicron variant), which has led to an unprecedented rise in COVID-19 cases in the country. On September 14, 2022, India recorded a cumulative 44.51 million cases of COVID-19 with more than 0.528 million deaths. The discovery of common circulating mutants is facilitated by genome sequencing. The changes in the Spike surface glycoprotein recombinant binding domains served as the critical alterations, resulting in enhanced infectivity and transmissibility, with severe clinical effects. Further, the predominant mutation in the SARS-CoV-2 spike protein; the D614G strains served as a model for vaccine development. The mutation of the Wuhan strain to the Variant of Concern led to a significant increase in SARS-CoV-2 infections. In addition, there was a shift in the age group affected by SARS-CoV-2 variant infection. The current review summarized the COVID-19 pandemic's Variant of Concern and the advent of SARSCoV-2 in India. [ABSTRACT FROM AUTHOR]

Even more than two years, Coronavirus Disease 2019 (COVID-19) has been emerging as a harshening name which influence the health indicator of human being by life threatening illness in all over world. It had been revealed first time in Wuhan, China, in December 2019. Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the etiological sources of COVID-19. There is currently no precise treatment or vaccine against COVID-19. India is second highly condensed country in the world, where is the limited sources of earning, education as well as technology. Therefore, in the shortcoming of pharmaceutical preparation, the advanced implementation of precautions and hygienic measures will be essential to control and to minimize human transmission of the virus. In response to the rapidly escalating number of publications on the emerging disease, this review attempts to provide a timely and comprehensive review of recent development and present situation of India in view of COVID-19. It has been more than two years of this havoc, still it is not eradicated completely. We will cover the preliminary knowledge towards the epidemiology, etiology, virology, diagnosis, treatment, prognosis, and prevention of the disease in the world as well as in India. Meanwhile many questions will be arising day by day; we are expecting that this review helps in the understanding and eradication of the threatening disease as a future outcome. [ABSTRACT FROM AUTHOR]

A Noval corona Virus also known as severe acute respiratory syndrome corona virus (SARSCo V-2) is a highly transmissible and pathogenic corona virus that emerged in end of 2019 in the Wuhan city of China and has caused a pandemic ofacute respiratory disease, named 'corona virus disease 2019' (COVID-19), which threatens human health and public safety. Noval corona Virus has now spread worldwide to become a global pandemic affecting over 10 Carors of people as of January 31th, 2021 and claimed the life of more than 2,231,230 people worldwide. Corona is asymptomatic for some individuals and for others it can cause symptoms ranging from flu-like to acute respiratory distress syndrome (ARDS), pneumonia and death. In this Review, we describe the current progress and human challenges of development of covid 19 vaccine. This study also includes the current status of peoples who are vaccinated till now in India and comparison with the other countries of the world in terms of peoples vaccinated. The social approval of vaccination presupposes social reliance and it possess a big problem in India. Therefore in-spite of government approval for vaccination being started it is important to be socially accepted by the peoples of India [ABSTRACT FROM AUTHOR]

In December 2019, an unusual form of pneumonia of unknown origin was identified in Wuhan and soon expanded into an intercontinental pandemic that affected nations all over the world. The unusual pneumonia was subsequently named COVID-19. The management of COVID-19 disease has been highly dependent on the early identification of patients who are positive for SARS-CoV-2 infection. For detecting the SARS-CoV-2 virus in upper or lower respiratory tracts, the Centers for Disease Control and Prevention (CDC) recommend strategic sampling approaches. Most countries collect nasopharyngeal swabs and oropharyngeal swabs for rapid viral testing by experienced healthcare workers. Due to the increase in single-day cases, the high cost of RT-PCR, and the requirement for greater coverage in order to detect COVID-19 infections, the screening method has been changed to the Rapid Antigen Test during this phase of the pandemic in India. Considering the limited sensitivity of the fast antigen test compared to the sputum test, and the benefit of having additional resources available from an already established TB network, policymakers should consider implementing COVID-19 with sputum testing. For India, which has 1.3 billion people and limited resources, contemplating a community level sample collection of COVID-19 samples will be an effective decision if scientific data is used for this purpose will be an effective choice for the country with more than 1.3 billion population and limited resources. [ABSTRACT FROM AUTHOR]

The novel Coronavirus outbreak was originated from Wuhan, China, was first reported in India on 30th January 2020. The impact of an epidemic depends on the number of persons infected, infection transmissibility and the spectrum of clinical severity. To determine the impact of outbreak, analysis of the existing record was done. The objective of this study was to determine the demographic factors, case fatality rate, its association and trend was observed among positive cases reported in Gwalior district. Covid-19 related data collected at the IDSP unit of Gwalior District was analysed. A total of 11281 case reported between 30th March to 11th October was included and their recorded data was analysed using mean, median, chi-square test and logistic regression analysis. The study shows that Mean age of the cases was 39.95±16.75 while their median age was 38.0 (27.0-52.0). Maximum cases were in the age group of 21-30 (25.6%). On assessing the current status, 94.7% patients were discharged from isolation/treatment facility, 4% case were active while 1.3% died. Risk Ratio (Odds Ratio) for death was calculated for different characteristics. It was concluded from the present study that the outcome of disease was found statistically significant in age groups, residence in containment area and isolation status among patients by using logistic regression analysis. Also, no gender predilection of the disease and its mortality. [ABSTRACT FROM AUTHOR]

Severe acute respiratory syndrome coronavirus 2 (SARS-COVID-19) is a novel coronavirus that started in Wuhan City in China in December 2019. It can cause acute respiratory infection. Guillain–Barre syndrome (GBS) is an autoimmune disease characterized by rapidly progressing ascending paralysis that is triggered by an infection or immune stimulation which produces an abnormal immune response that targets peripheral nerves. In most cases, it is preceded by a bacterial or viral infection. This is a case of a 36-year-old male patient from India who developed progressive acute flaccid paralysis after SARS-COVID-19 infection. Clinical examination and lab studies lead to the diagnosis of GBS. The patient was treated with intravenous immunoglobulins and supportive treatment. Following treatment, there was a substantial improvement in weakness as reported by the patient and was confirmed by clinical evaluation. This is an uncommon manifestation of SARS-COVID-19 infection and suggests the presence of an immune-mediated process leading to damage of the nervous system. [ABSTRACT FROM AUTHOR]

Since its emergence as a pneumonia-like outbreak in the Chinese city of Wuhan in late 2019, the novel coronavirus disease COVID-19 has spread widely to become a global pandemic. The first case of COVID-19 in India was reported on 30 January 2020 and since then it has affected more than ten million people and resulted in around 150,000 deaths in the country. Over time, the viral genome has accumulated mutations as it passes through its human hosts, a common evolutionary mechanism found in all microorganisms. This has implications for disease surveillance and management, vaccines and therapeutics, and the emergence of reinfections. Sequencing the viral genome can help monitor these changes and provides an extraordinary opportunity to understand the genetic epidemiology and evolution of the virus as well as tracking its spread in a population. Here we review the past year in the context of the phylogenetic analysis of variants isolated over the course of the pandemic in India and highlight the importance of continued sequencing-based surveillance in the country. [ABSTRACT FROM AUTHOR]

We report clinical profile of hundred and nine patients with SARS CoV-2 infection, and whole genome sequences (WGS) of seven virus isolates from the first reported cases in India, with various international travel histories. Comorbidities such as diabetes, hypertension, and cardiovascular disease were frequently associated with severity of the disease. WBC and neutrophil counts showed an increase, while lymphocyte counts decreased in patients with severe infection suggesting a possible neutrophil mediated organ damage, while immune activity may be diminished with decrease in lymphocytes leading to disease severity. Increase in SGOT, SGPT and blood urea suggests the functional deficiencies of liver, heart, and kidney in patients who succumbed to the disease when compared to the group of recovered patients. The WGS analysis showed that these isolates were classified into two clades: I/A3i, and A2a (four according to GISAID: O, L, GR, and GH). Further, WGS phylogeny and travel history together indicate possible transmission from Middle East and Europe. Three S protein variants: Wuhan reference, D614G, and Y28H were identified predicted to possess different binding affinities to host ACE2. [ABSTRACT FROM AUTHOR]

COVID-19 has been declared as pandemic by WHO. This disease is caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV2). The spread of this virus from Wuhan, China to the rest of the world has led to increasing concerns as it is considered a threat to mankind. The present work in situation analysis using neutrosophy identifies factors which should be taken care of so that the spread of this virus can be contained. Known factors as put forward by experts together with indeterminate factors which are still not taken into consideration are used to model the situation. This work using neutrosophic cognitive maps proves mathematically how these indeterminate and unknown factors are responsible for the spread of COVID-19 in India. The Neutrosophic Cognitive Map (NCM) is an enhanced version of Fuzzy Cognitive Map (FCM) since it takes into account the concept of indeterminacy and uncertainty, which is not addressed by FCMs. The obtained results not only show the importance of determinate factors (measures taken by the government bodies) in containing the spread of this deadly virus but also show how indeterminate and uncertain factors such as poverty, negligence, ineffectual healthcare, age, immunity, unscientific practices on religious grounds and illiteracy play a vital role in this regard. This model, in general, helps policymakers and government agencies to represent any complicated situation mathematically thereby helping them in responding appropriately and forming new policies for dealing with such pandemics. This work also signifies how neutrosophic theories can be applied in the analysis of the situation for dealing with real life problems. [ABSTRACT FROM AUTHOR]

Background: The world is going through a pandemic caused by newly emerged "Novel Coronavirus," which was originated from Wuhan, China in December 2019. This pandemic caused havoc in the world. So far, more than 200 countries have been affected by Novel Coronavirus. India is also not untouched by this outbreak. The corona virus transmits through droplets, contact, and fomites in human and become a chain transmission by human to human. SARS-CoV-2 spread worldwide by air transport, and it is also reaches to local and small societies or villages by domestic transport through the travelers. Methods: In this study, data are accessed from Ministry of Health and Family Affaires, Ministry of Home affairs, Ministry of Transport, Government of India, World health organization, and www.worldometers.info. The accessed data are analyzed by origin 6.1 software. Results: In India, till April 8, 2020, 5274 people were found infected with COVID-19, out of which 410 were recovered, and the remaining 149 died. The infection of SARS-CoV-2 reaches to several places by international and domestic through human travelers. To avoid local and community transmission in India, it was decided for complete lockdown of 21 days from March 25, 2020 in country to prevent mass gathering and promote social distancing. Further, the lockdown was extended to May 3, 2020. The decision of lockdown has been successful in getting control of COVID-19 in India so far. Conclusions: The effective measure of lockdown to control COVID-19 was found to be very successful in India and it can be apply by other countries to control the COVID-19. [ABSTRACT FROM AUTHOR]

Background: COVID-19, a respiratory illness, has become a pandemic originating from the Wuhan city of China. Earlier, similar diseases like Severe Acute Respiratory Syndrome and Middle East Respiratory Syndrome had caused mass mortality in different parts of the globe. Therefore, a similar new disease was of great concern for the humankind. However, it is observed that COVID-19 has a differential rate disease prevalence and mortality among the countries. Aims and Objective: This disease has already affected 2.4 million people globally, leading to healthcare disasters, financial meltdowns due to worldwide lockdowns. Our objective was to evaluate the effect of lockdown in India and to characterize the functional implications of genetic variations of SARS-CoV-2 (the causative virus). Materials and Methods: Epidemiological data for COVID-19 was taken from WHO and other national or international bodies to evaluate the prevalence of the disease in different countries. A statistical modeling was done to estimate the probable number of COVID-19 affected persons with or without lockdown. Bioinformatic analyses were done to identify mutational variations of SARS-CoV-2 and their functional implications. Results: Statistical modeling predicted that number of COVID-19 case could be much higher without lockdown in countries. Countries with malaria and dengue prevalence are less affected by COVID-19. Bioinformatic analyses revealed presence of an Indian SARS-CoV-2 SP1 variant with lesser capability of human receptor binding. Conclusion: Lockdown and deliberate testing has played key important role in prevention of disease transmission. Indian variant of SARS-CoV-2 with less affinity towards human receptor may have a role for lesser virulence. [ABSTRACT FROM AUTHOR]

The current pandemic of COVID-19 has caused havoc all over world since its emergence and rapid spread. Within three months the virus SARS-CoV-2 which was isolated from pneumonia cases in Wuhan City, Hubei Province, China in late December 2019, has affected almost all countries. India reported its first case of COVID-19 from state of Kerala on January 30, 2020, a student returned from city of Wuhan. Till date in India the disease had affected 12759 patients with 420 deaths. With every passing day the mysterious virus is been uncovered with its unique characteristics enabling the researcher to unfold the various methods including hand washing and social distancing to curtail the pandemic. Measures like 21 days lockdown to certain extent are effective but considering asymptomatic spreaders, extended measured lockdowns will be useful in the long term war against COVID-19. Till the vaccine and therapeutic solutions are derived, answer to pandemic and SARS-CoV-2 lies in lockdown, social distancing, contact tracing and containment. [ABSTRACT FROM AUTHOR]

Severe acute respiratory syndrome corona virus-2 (SARS-CoV-2), a novel coronavirus initially reported in Wuhan, China, is the causative agent of coronavirus disease (COVID-19) pandemic. Symptoms of the disease comprise of fever, tiredness, dry cough, aches and pains, nasal congestion, runny nose, sore throat, diarrhoea and pneumonia at the late stage. SARS-CoV-2 has severely crippled the healthcare system and has caused huge economic losses. Following the outbreak, the SARS-CoV-2 was recognized timely and its genome was sequenced, leading to the development of real-time polymerase chain reaction assays for its detection in clinical samples collected from suspected cases. The management of the pandemic is limited by a number of misconceptions and insufficient information about laboratory testing for SARS-CoV-2 to confirm the disease. This includes a lack of awareness about procedures for the collection, transport, testing, and handling of biological samples for COVID diagnosis. This article provides an overview of the current laboratory diagnostic methods with a purpose to provide information and guidance to laboratories, stakeholders, broader community and especially public health professionals involved in laboratory testing for SARS-CoV-2. [ABSTRACT FROM AUTHOR]

Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-Cov-2), a new enveloped RNA virus known as Coronavirus (COvID-19) are most prevalent in humans and wild animals. All four species that is alpha, beta, delta and theta have been identified till date and are responsible for human disease; causing influenza like illness (ILI). This virus has similar lineage of Middle East Respiratory Syndrome coronavirus (MERS-CoV) and related Coronavirus (SARS-CoV). This outbreak initially presented as pneumonia-like illness in a group of people in Wuhan, China. The infection was said to be caused by seafood and unusual animals in the wholesale markets of this city. SARS-CoV-2 is highly infectious and has resulted in a rapid pandemic. As of now it has spread to 197 countries with total no of cases in the world being 3.76 million as of early march. The mortality till now is 7.11% . The cases have been increasing since its first discovery in China. In India also the number has been increased. Till now India has total of 39,980 cases and mortality is attributed to be 3.26%. As per data from Ministry of health and family welfare (MoHFW) death is more commonly seen in males with age >60years. Among these most of the deaths were related to other co-morbid conditions. This article will help the readers with an overview of novel Coronavirus spanning around the clinical features, diagnostic modalities, treatment strategies and infection control measures. It will also help in raising awareness among healthcare workers regarding COVID-19 and aid in early recognition of these patients. Moreover, this review will also focus on the most recent information for the effective management, prevention, and treatment of patients worldwide. [ABSTRACT FROM AUTHOR]

The current pandemic of COVID-19 has caused havoc all over world since its emergence and rapid spread. Within three months the virus SARS-CoV-2 which was isolated from pneumonia cases in Wuhan City, Hubei Province, China in late December 2019, has affected almost all countries. India reported its first case of COVID-19 from state of Kerala on January 30, 2020, a student returned from city of Wuhan. Till date in India the disease had affected 12759 patients with 420 deaths. With every passing day the mysterious virus is been uncovered with its unique characteristics enabling the researcher to unfold the various methods including hand washing and social distancing to curtail the pandemic. Measures like 21 days lockdown to certain extent are effective but considering asymptomatic spreaders, extended measured lockdowns will be useful in the long term war against COVID-19. Till the vaccine and therapeutic solutions are derived, answer to pandemic and SARS-CoV-2 lies in lockdown, social distancing, contact tracing and containment. [ABSTRACT FROM AUTHOR]

Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), a new enveloped RNA virus known as Coronavirus (COVID-19) are most prevalent in humans and wild animals. All four species that is alpha, beta, delta and theta have been identified till date and are responsible for human disease; causing influenza like illness (ILI). This virus has similar lineage of Middle East Respiratory Syndrome coronavirus (MERS-CoV) and related Coronavirus (SARS-CoV). This outbreak initially presented as pneumonia-like illness in a group of people in Wuhan, China. The infection was said to be caused by seafood and unusual animals in the wholesale markets of this city. SARS-CoV-2 is highly infectious and has resulted in a rapid pandemic. As of now it has spread to 197 countries with total no of cases in the world being 3.76 million as of early march. The mortality till now is 7.11% . The cases have been increasing since its first discovery in China. In India also the number has been increased. Till now India has total of 39,980 cases and mortality is attributed to be 3.26%. As per data from Ministry of health and family welfare (MoHFW) death is more commonly seen in males with age >60years. Among these most of the deaths were related to other co-morbid conditions. This article will help the readers with an overview of novel Coronavirus spanning around the clinical features, diagnostic modalities, treatment strategies and infection control measures. It will also help in raising awareness among healthcare workers regarding COVID-19 and aid in early recognition of these patients. Moreover, this review will also focus on the most recent information for the effective management, prevention, and treatment of patients worldwide. [ABSTRACT FROM AUTHOR]

Severe acute respiratory syndrome corona virus-2 (SARS-CoV-2), a novel coronavirus initially reported in Wuhan, China, is the causative agent of coronavirus disease (COVID-19) pandemic. Symptoms of the disease comprise of fever, tiredness, dry cough, aches and pains, nasal congestion, runny nose, sore throat, diarrhoea and pneumonia at the late stage. SARS-CoV-2 has severely crippled the healthcare system and has caused huge economic losses. Following the outbreak, the SARS-CoV-2 was recognized timely and its genome was sequenced, leading to the development of real-time polymerase chain reaction assays for its detection in clinical samples collected from suspected cases. The management of the pandemic is limited by a number of misconceptions and insufficient information about laboratory testing for SARS-CoV-2 to confirm the disease. This includes a lack of awareness about procedures for the collection, transport, testing, and handling of biological samples for COVID diagnosis. This article provides an overview of the current laboratory diagnostic methods with a purpose to provide information and guidance to laboratories, stakeholders, broader community and especially public health professionals involved in laboratory testing for SARS-CoV-2. [ABSTRACT FROM AUTHOR]

Since 2002, β coronaviruses (CoVs) have caused three zoonotic outbreaks, SARS-CoV in 2002, MERS-CoV in 2012, and the recent outbreak of SARS-CoV-2 late in 2019 (also named as COVID-19 or novel coronavirus 2019 or nCoV2019). Spike (S) protein, one of the structural proteins of this virus plays key role in receptor (ACE2) binding and thus virus entry. Thus, this protein has attracted scientists for detailed study and therapeutic targeting. As the nCoV2019 takes its course throughout the world, more and more sequence analyses are being done and genome sequences are being deposited in various databases. From India, two clinical isolates have been sequenced and the full genome has been deposited in GenBank. We have performed sequence analyses of the Spike protein of the Indian isolates and compared with that of the Wuhan, China (where the outbreak was first reported). While all the sequences of Wuhan isolates are identical, we found point mutations in the Indian isolates. Out of the two isolates, one was found to harbor a mutation in its receptor-binding domain (RBD) at position 407. At this site, arginine (a positively charged amino acid) was replaced by isoleucine (a hydrophobic amino acid that is also a C-β branched amino acid). This mutation has been seen to change the secondary structure of the protein at that region and this can potentially alter receptor binding of the virus. Although this finding needs further validation and more sequencing, the information might be useful in rational drug designing and vaccine engineering. [ABSTRACT FROM AUTHOR]

The massive increase in COVID-19 infection had generated a second wave in India during May–June 2021 with a critical pandemic situation. The Delta variant (B.1.617.2) was a significant factor during the second wave. Conversely, the UK had passed through the crucial phase of the pandemic from November to December 2020 due to B.1.1.7. The study tried to comprehend the pandemic response in the UK and India to the spread of the B.1.1.7 (Alpha, UK) variant and B.1.617.2 (Delta, India) variant. This study was performed in three directions to understand the pandemic response of the two emerging variants. First, we served comparative genomics, such as genome sequence submission patterns, mutational landscapes, and structural landscapes of significant mutations (N501Y, D614G, L452R, E484Q, and P681R). Second, we performed evolutionary epidemiology using molecular phylogenetics, scatter plots of the cluster evaluation, country-wise transmission pattern, and frequency pattern. Third, the receptor binding pattern was analyzed using the Wuhan reference strain and the other two variants. The study analyzed the country-wise and region-wise genome sequences and their submission pattern, molecular phylogenetics, scatter plot of the cluster evaluation, country-wise geographical distribution and transmission pattern, frequency pattern, entropy diversity, and mutational landscape of the two variants. The structural pattern was analyzed in the N501Y, D614G L452R, E484Q, and P681R mutations. The study found increased molecular interactivity between hACE2-RBD binding of B.1.1.7 and B.1.617.2 compared to the Wuhan reference strain. Our receptor binding analysis showed a similar indication pattern for hACE2-RBD of these two variants. However, B.1.617.2 offers slightly better stability in the hACE2-RBD binding pattern through MD simulation than B.1.1.7. The increased hACE2-RBD binding pattern of B.1.1.7 and B.1.617.2 might help to increase the infectivity compared to the Wuhan reference strain. [Display omitted] • Comparative genomics of two emerging SARS-CoV-2 variants (B.1.1.7 and B. 1.617.2). • Evolutionary epidemiology, geographical distribution and country-wise transmission patterns of study of Alpha.1.1.7 and Delta. 1.617.2. • Landscape of significant mutations such as L452R, E484Q, N501Y, D614G and P681R. • RBD-hACE2 receptor binding pattern analysis in B.1.1.7 and B. 1.617.2 compare to Wuhan reference strain. [ABSTRACT FROM AUTHOR]

COVID-19 has threatened the existence of humanity andthis infection occurs due to SARS-CoV-2 or novel coronavirus, was first reported in Wuhan, China. Therefore, there is a need to find a promising drug to cure the people suffering from the infection. The second wave of this viral infection was shaking the world in the first half of 2021. Drugs Controllers of India has allowed the emergency use of 2-deoxy-D-glucose (2DG) in 2021 for patients suffering from this viral infection. The potentiality of 2-deoxy-D-glucose to intervene in D-glucose metabolism exists and energy deprivation is an effective parameter to inhibit cancer cell development. Once 2DG arrives in the cells, it becomes phosphorylated to 2-deoxy-D-glucose-6-phosphate (2-DG6P), a charged molecule expressively captured inside the cells. On the other hand, 2DG lacks the ability to convert into fructose-6-phosphate, resulting in a hampering of the activity of both glucose-6-phosphate isomerase and hexokinase, and finally causing cell death. Hence, the potential and effectiveness of 2DG with the main protease (Mpro) of novel coronavirus (nCoV) should be investigated using the molecular docking and molecular dynamics (MD) simulations. The ability of 2DG to inhibit the Mpro of nCoV is compared with 2-deoxyglucose (2DAG), an acyclic molecule, and 2-deoxy-D-ribose (2DR). The binding energy of the molecules with the Mpro of nCoV is calculated using molecular docking and superimposed analysis data is obtained. The binding energy of 2DG, 2DR and 2DAG was −2.40, −2.22 and −2.88 kcal/mol respectively. Although the molecular docking does not provide reliable information, therefore, the binding affinity can be confirmed by molecular dynamics simulations. Various trajectories such as Rg, RMSD, RMSF, and hydrogen bonds are obtained from the molecular dynamics (MD) simulations. 2DG was found to be a better inhibitor than the 2DAG and 2DR based on the results obtained from the MD simulations at 300 K. Furthermore, temperature-dependent MD simulations of the Mpro of nCoV with promising 2DG was performed at 295, 310 and 315 K, and the effective binding with the Mpro of nCoV occurred at 295 K. With the use of DFT calculations, optimized geometry and localization of electron density of the frontier molecular orbitals were calculated. [ABSTRACT FROM AUTHOR]