COVID-19: Insights into Structure-Function Relationship, Drug Targets and Drug Design Strategies for novel-Coronavirus 2019

Coronaviruses ◽  
2020 ◽  
Vol 01 ◽  
Author(s):  
Snigdha Bhardwaj ◽  
Shaminder Singh ◽  
Sonam Bhatia
Keyword(s):  
Drug Design ◽  
Drug Targets ◽  
Specific Treatment ◽  
Virus Genome ◽  
World Health ◽  
Design Strategies ◽  
Plasma Therapy ◽  
Aged Patients ◽  
Protease Enzyme ◽  
Novel Coronavirus

Background: Novel coronavirus (2019-nCov) imposed deadly health calamity with unexpected disastrous situation alarming the globe for urgent treatment regimes. World Health Organization (WHO) termed the coronavirus disease as COVID-2019 on February 11, 2020 and announced its outbreak as pandemic on 11 March 2020. The first infection was noticed in Wuhan, Hubei province, China in December 2019 and it is believed that the corona-virus is transmitted to humans through bats as a reservoir and involving human to human transfer, although the proper intermediary transmission channel is yet unestablished. Methods: Elderly populations and patients with concomitant symptoms are more at risk as compared to middle-aged patients as it may progress to pneumonia followed by severe acute respiratory syndrome (SARS) and multi-organ failure. Morbidity rates estimated in patients are less i.e. 2-3% but the dearth of a specific treatment strategy to prevent coronavirus infection is a major concern. Results: Currently, anti-viral and anti-malarial drugs are in practice for the management of COVID-19 disease along with plasma therapy in the absence of a potent vaccine. Besides, home isolation and social distancing are the precautionary measures adopted by many countries to minimize the spread of infection. Various studies have been conducted and numerous are still going on to establish specific treatment for COVID-19. Conclusion: In this review, we summarized information on the structural components of COVID19 virus with special emphasis on virus genome, life cycle, the importance of protease enzyme, the role of spike proteins in viral replication, validated drug targets, ongoing effective treatments for COVID-19 management and the latest research on drug design to develop anti-CoV drugs.

Recent Advances towards Drug Design Targeting the Protease of 2019 novel coronavirus (2019-nCoV)

2020 ◽  
Vol 27 ◽  
Author(s):  
Sehrish Bano ◽  
Abdul Hameed ◽  
Mariya Al-Rashida ◽  
Shafia Iftikhar ◽  
Jamshed Iqbal
Keyword(s):  
Drug Design ◽  
Rna Polymerase ◽  
Drug Targets ◽  
Antiviral Agents ◽  
Structural Features ◽  
Antiviral Drugs ◽  
Rna Dependent Rna Polymerase ◽  
Mortality And Morbidity ◽  
Functional Relationships ◽  
Novel Coronavirus

Background: The 2019 novel coronavirus (2019-nCoV), also known as coronavirus 2 (SARS-CoV-2) acute respiratory syndrome has recently emerged and continued to spread rapidly with high level of mortality and morbidity rates. Currently, no efficacious therapy is available to relieve coronavirus infections. As new drug design and development takes much time, there is a possibility to find an effective treatment from existing antiviral agents. Objective: In this case, there is a need to find out the relationship between possible drug targets and mechanism of action of antiviral drugs. This review discusses about the efforts to develop drug from known or new molecules. Methods: Viruses usually have two structural integrities, proteins and nucleic acids, both of which can be possible drug targets. Herein, we systemically discuss the structural-functional relationships of the spike, 3-chymotrypsin-like protease (3CLpro), papain like protease (PLpro) and RNA-dependent RNA polymerase (RdRp), as these are prominent structural features of corona virus. Certain antiviral drugs such as Remdesivir are RNA dependent RNA polymerase inhibitor. It has the ability to terminate RNA replication by inhibiting ATP. Results: It is reported that ATP is involved in synthesis of coronavirus non-structural proteins from 3CLpro and PLpro. Similarly, mechanisms of action of many other antiviral agents has been discussed in this review. It will provide new insights into the mechanism of inhibition, and let us develop new therapeutic antiviral approaches against novel SARS-CoV-2 coronavirus. Conclusion: In conclusion, this review summarizes recent progress in developing protease inhibitors for SARS-CoV-2.

scholarly journals COVID-19: A Critical Review on Viral Biochemistry, Environmental Transmission, Therapeutics and Safety Measures

2020 ◽  
Vol 1 (6) ◽  
Author(s):  
Roshni Kumari ◽  
Kumari Pragati Nanda ◽  
Hena Firdaus ◽  
Soumen Dey
Keyword(s):  
Specific Treatment ◽  
Scattered Data ◽  
Review Article ◽  
World Health ◽  
The Novel ◽  
Safety Measures ◽  
Current Scenario ◽  
Novel Coronavirus ◽  
Health Organization

The outbreak of coronavirus disease caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is declared pandemic by World Health Organization (WHO) keeping in view its infection rate and toxicity level. The entire world is struggling hard to survive the prevailing health emergency. The authors realise the urgent need of contributing an overview of the present scenario to the researchers who are breathlessly trying to combat this pandemic situation. This review aimed at binding all the scattered data and research available till now on COVID-19 disease starting from its origin to transmission and spread through environmental factors till treatment and the safety measures that should be implemented. This article would possibly help the readers by providing an outlook of current scenario on various perspectives of COVID-19 disease at a single glance. The types, origin and toxicity caused are discussed in brief. The role of contaminated aerosols (viral-laden smoke from tobacco, cigarettes), wastewater, fomites, human and faecal matter are important in spreading the novel coronavirus in the environment. There is no specific treatment till date but clinical trials and diagnosis on several known drugs are on-going. The precaution and safety measures could hopefully reduce number of infections and mortality. The number of infected cases confirmed till 2 August 2020 was 17660523 with 680894 deaths in the world. We tried in this review article to summarize the scattered data available on biochemistry of SARS-CoV-2, environmental spread of virus and the safety measures to combat COVID-19 pandemic.

scholarly journals Immunomodulators for Curtailing COVID-19: a Positive Approach

2020 ◽  
Vol 10 (3-s) ◽  
pp. 286-294 ◽  
Author(s):  
Shabir Ahmad Bhat ◽  
Shameem Ahmad Rather ◽  
Arsheed Iqbal ◽  
Haider Ali Qureshi ◽  
Naquibul Islam
Keyword(s):  
Severe Acute Respiratory Syndrome ◽  
Viral Infections ◽  
Herbal Medicines ◽  
Specific Treatment ◽  
The Body ◽  
World Health ◽  
The People ◽  
Novel Coronavirus ◽  
Health Organization ◽  
Past Experiences

Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) is highly infectious, spreading swiftly from man to man which has not been previously recognized in humans. World Health Organization (WHO) on February 11, 2020 named the infection as COVID-19 as an acronym for ‘coronavirus disease-2019’ and on March 11, 2020 declared the outbreak as pandemic. It affects all the people without discrimination, however, older, immune compromised are more susceptible. The virus chiefly spread through droplet infection from infected person to healthy one by coughing, sneezing or with infected hands when touched to eyes, nose or mouth. Symptoms of the infection range from mild to severe ones. In severe cases (approx. 14% of cases) fever typically of high grade (104oF), breathlessness, pneumonia and severe acute respiratory syndrome may appear. So far no specific treatment or vaccine for novel coronavirus-2019 is there. From the past and recent past experiences we have learnt that herbal medicines have proven beneficial against various dreadful viral infections. Assessment of immune enhancing herbs in this paper may definitely be helpful for the body to fight COVID-19 infection. Keywords:   Severe acute respiratory syndrome coronavirus-2, COVID-19, Pneumonia, Immune, Herbs

Glycyrrhizin as a Potential Treatment for the Novel Coronavirus (COVID-19)

2021 ◽  
Vol 21 ◽  
Author(s):  
Habeb Al-Kamel ◽  
Oliver Grundmann
Keyword(s):  
Therapeutic Agent ◽  
Specific Treatment ◽  
Licorice Root ◽  
World Health ◽  
Regulatory Agencies ◽  
The Novel ◽  
Potential Treatment ◽  
Global Pandemic ◽  
Novel Coronavirus ◽  
Health Organization

: COVID-19 is an emerging viral infection of zoonotic origin that is closely related to the severe acute respiratory syndrome coronavirus (SARS-CoV) that caused an outbreak in 2003. Therefore, scientists named the new virus SARS-CoV-2. On March 11, 2020, The World Health Organization (WHO) recognized COVID-19 as a global pandemic. At present, three vaccines have been approved or are being considered for approval by national regulatory agencies to immunize against COVID-19. However, the vaccines do not yet remain widely available and no specific treatment against the virus is available. The pathogenesis and proliferation pathways of SARS-CoV-2 are still not well known. Thus, in this article, the saponin glycyrrhizin is discussed as a new potential therapeutic agent of natural origin (licorice root, Glycyrrhizaglabra) for the potential treatment of COVID-19 infections.

scholarly journals Naturally Occurring Anthraquinones as Potential Inhibitors of SARS-CoV-2 Main Protease: A Molecular Docking Study

2020 ◽  
Author(s):  
Sourav Das ◽  
Atanu Singha Roy
Keyword(s):  
Molecular Docking ◽  
Drug Targets ◽  
Docking Study ◽  
Docking Studies ◽  
World Health ◽  
Molecular Docking Study ◽  
Inhibitory Potential ◽  
Novel Coronavirus ◽  
Health Organization ◽  
Potential Inhibitors

<i>Background:</i> The novel coronavirus (COVID-19) has quickly spread throughout the globe, affecting millions of people. The World Health Organization (WHO) has recently declared this infectious disease as a pandemic. At present, several clinical trials are going on to identify possible drugs for treating this infection. SARS-CoV-2 M<sup>pro</sup> is one of the most critical drug targets for the blockage of viral replication. <i>Method:</i> The blind molecular docking analyses of natural anthraquinones with SARS-CoV-2 M<sup>pro</sup> were carried out in an online server, SWISSDOCK, which is based on EADock DSS docking software. <i>Results: </i>Blind molecular docking studies indicated that several<i> </i>natural antiviral anthraquinones could prove to be effective inhibitors for SARS-CoV-2 M<sup>pro</sup> of COVID-19 as they bind near the active site having the catalytic dyad, HIS41 and CYS145 through non-covalent forces. The anthraquinones showed less inhibitory potential as compared to the FDA approved drug, remdesivir.<i></i> <p><b><i>Conclusion:</i></b><i> </i>Among the natural anthraquinones<i>, </i>alterporriol Q could be the most potential inhibitor of SARS-CoV-2 M<sup>pro</sup> among the natural anthraquinones studied here, as its ∆<i>G</i> value differed from that of remdesivir only by 0.51 kcal/ mol. The uses of these alternate compounds might be favorable for the treatment of the COVID-19.</p>

scholarly journals Recent Discovery and Development on SARS-CoV-2: A Review of Current Literature

2020 ◽  
Author(s):  
V Deepak Bamola ◽  
Rama Chaudhry
Keyword(s):  
Specific Treatment ◽  
Central China ◽  
World Health ◽  
Diagnostic Tools ◽  
Future Research ◽  
Wuhan City ◽  
Global Challenge ◽  
The World ◽  
Novel Coronavirus ◽  
Health Organization

Origin and spread of current novel coronavirus raised serious concerns among stakeholders around the globe. Different speculations which may unfold the mystery in the future are taking roots, but now there is no globally acceptable opinion about the origin and spread of this novel coronavirus. It is reported that Wuhan city of Hubei Province of central China was the epicenter of this outbreak of novel coronavirus. However, initial inadequate preventive measures allowed the infection to cross the borders of China and that pull the world into a drastic public health and economic crisis. This novel coronavirus disease now named as COVID-19 by World Health Organization (WHO) and the responsible coronavirus is named as ‘severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)’. The spread of SARS-CoV-2 is alarming even after five months of inception and WHO further warns the world to be prepared for more intense spread of COVID-19. Different diagnostic tools to detect SARS-CoV-2 are being used around the globe, but the identification of asymptomatic carriers of the disease is a serious challenge in countering the COVID-19 pandemic. There is no specific treatment available, only preventive, symptomatic and supportive treatments are being used for clinical management of COVID-19. The available knowledge is limited therefore any escalation of information on the disease will help to combat with this global challenge of COVID-19. In this review, we have discussed and summarized the available multi-factorial information and recent updates on the SARS-CoV-2 which can support future research and may help in the strategic management of currentCOVID-19 pandemic. The articles available online before 30 April 2020 on bioRxiv, medRxiv, ChemRxiv, Google scholar and PubMed have been assessed for compilation of this review. Information on the official portal of WHO, CDC, ICMR etc were also assessed and used with due credit.

scholarly journals Drug design and repurposing with DockThor-VS web server focusing on SARS-CoV-2 therapeutic targets and their non-synonym variants

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Isabella A. Guedes ◽  
Leon S. C. Costa ◽  
Karina B. dos Santos ◽  
Ana L. M. Karl ◽  
Gregório K. Rocha ◽  
...  
Keyword(s):  
Drug Design ◽  
Therapeutic Targets ◽  
Web Server ◽  
Drug Repurposing ◽  
World Health ◽  
Design Strategies ◽  
Structure Based Drug Design ◽  
N Protein ◽  
The Impact ◽  
The Web

AbstractThe COVID-19 caused by the SARS-CoV-2 virus was declared a pandemic disease in March 2020 by the World Health Organization (WHO). Structure-Based Drug Design strategies based on docking methodologies have been widely used for both new drug development and drug repurposing to find effective treatments against this disease. In this work, we present the developments implemented in the DockThor-VS web server to provide a virtual screening (VS) platform with curated structures of potential therapeutic targets from SARS-CoV-2 incorporating genetic information regarding relevant non-synonymous variations. The web server facilitates repurposing VS experiments providing curated libraries of currently available drugs on the market. At present, DockThor-VS provides ready-for-docking 3D structures for wild type and selected mutations for Nsp3 (papain-like, PLpro domain), Nsp5 (Mpro, 3CLpro), Nsp12 (RdRp), Nsp15 (NendoU), N protein, and Spike. We performed VS experiments of FDA-approved drugs considering the therapeutic targets available at the web server to assess the impact of considering different structures and mutations to identify possible new treatments of SARS-CoV-2 infections. The DockThor-VS is freely available at www.dockthor.lncc.br.

scholarly journals Potential therapeutic options for COVID-19: an update on current evidence

2022 ◽  
Vol 27 (1) ◽  
Author(s):  
Zahra Niknam ◽  
Ameneh Jafari ◽  
Ali Golchin ◽  
Fahima Danesh Pouya ◽  
Mohadeseh Nemati ◽  
...  
Keyword(s):  
Specific Treatment ◽  
Immunoglobulin Therapy ◽  
Therapeutic Options ◽  
Health Concern ◽  
Current Evidence ◽  
Therapeutic Approaches ◽  
Plasma Therapy ◽  
Efficient Management ◽  
Comprehensive Information ◽  
Novel Coronavirus

AbstractSARS-CoV-2, a novel coronavirus, is the agent responsible for the COVID-19 pandemic and is a major public health concern nowadays. The rapid and global spread of this coronavirus leads to an increase in hospitalizations and thousands of deaths in many countries. To date, great efforts have been made worldwide for the efficient management of this crisis, but there is still no effective and specific treatment for COVID-19. The primary therapies to treat the disease are antivirals, anti-inflammatories and respiratory therapy. In addition, antibody therapies currently have been a many active and essential part of SARS-CoV-2 infection treatment. Ongoing trials are proposed different therapeutic options including various drugs, convalescent plasma therapy, monoclonal antibodies, immunoglobulin therapy, and cell therapy. The present study summarized current evidence of these therapeutic approaches to assess their efficacy and safety for COVID-19 treatment. We tried to provide comprehensive information about the available potential therapeutic approaches against COVID-19 to support researchers and physicians in any current and future progress in treating COVID-19 patients.

scholarly journals Conventional Therapeutic Drugs and Traditional Herbal Medicine in Prevention and Treatment of Novel Corona Virus (COVID-19): An Update

2021 ◽  
Vol 20 (4) ◽  
pp. 191
Author(s):  
Ramakant Yadav ◽  
Yogesh Chand Yadav
Keyword(s):  
Herbal Medicine ◽  
Community Health ◽  
World Health ◽  
Traditional Herbal Medicine ◽  
Plasma Therapy ◽  
Health Crisis ◽  
Chinese Medicines ◽  
Therapeutic Drugs ◽  
Novel Coronavirus ◽  
Health Organization

<strong>Background:</strong> Since December 2019, severe acute respiratory syndrome coronavirus to developing severe acute respiratory disease originated from Wuhan, China, and further spread rapidly all over the world except very few counties. On 30<sup>th</sup> January 2020, The WHO confirmed the epidemic as a community health crisis all over world. No drug was approved for treatment but some conventional and traditional medicinal plants are being used against COVID-19 infections. <strong>Objective:</strong> The present review is to illustrate current updates on conventional and traditional herbal medicine used for deterrent and treatment of SARS-CoV-2 infection. <strong>Methods:</strong> Search engines like Scopus, Pubmed, and World Health Organization (WHO) literature on current advances about novel coronavirus (COVID-19) were reviewed. <strong>Discussion and Conclusion:</strong> Current research data indicated that the outbreaks caused by SARS MERS and COVID-19 have produced substantial community health problems. Currently, there are no vaccines for prevention or specific treatments however it can be managed by using oxygen therapy, convalescent plasma therapy, antimalarial drugs, and broad-spectrum antiviral drugs. Many traditional herbal and Chinese medicines may be useful.

Coronavirus disease 2019 (COVID-19): Current situation and therapeutic options

Coronaviruses ◽  
2020 ◽  
Vol 01 ◽  
Author(s):  
Veer Singh ◽  
Vishal Mishra
Keyword(s):  
Monoclonal Antibodies ◽  
Transmission Rate ◽  
Therapeutic Options ◽  
World Health ◽  
Plasma Therapy ◽  
The World ◽  
Working Together ◽  
Novel Coronavirus ◽  
Health Organization ◽  
Effective Drugs

Abstract:: Coronavirus disease 2019 (COVID-19) is defined an illness caused by SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2). COVID-19 was first reported in the Wuhan, China in late December, 2019. World Health Organization (WHO) declared COVID-19 a global emergency on March 11, 2020. COVID-19 was rapidly transmitted and caused infection in 21,294,845 people and 761,779 deaths in more than 213 countries worldwide till August 16, 2020. United States of America (USA), Brazil, India, Russia Federation, Peru, Mexico, Colombia Spain, France, Italy, Germany, and United Kingdom (UK) stand top COVID-19 affected countries in the world. The high transmission rate of COVID-19 was might be due to large viral incubation time (2-14 days) and some modifications in the spike glycoprotein. Currently, effective drugs or vaccines are not developed for the treatment of novel coronavirus. However, few antibiotics like hydroxychloroquine and remdesivir have been currently used for the treatment of COVID-19 infection. Several collaboratives are working together for developing an effective and safe vaccine against COVID-19 and few vaccines are under clinical trial. Scientists are also working on plasma therapy and monoclonal antibodies. Nowadays, plasma therapy is considered as the most effective treatment against COVID-19 and some promising results have been achieved. This review focuses on the several therapeutic options for COVID-19 such as antiviral drugs, vaccines, plasma therapy and monoclonal antibodies. This review also covers the current situations of COVID-19 in the world. This review is about COVID-19, which will be beneficial to researchers for the development of potential treatment against COVID-19.

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