scholarly journals COV-DrugX Pipeline for Covid-19 Drug Repurposing

2021 ◽  
Author(s):  
Robin Sinha ◽  
Preeti P
Keyword(s):  
Artificial Intelligence ◽  
Drug Discovery ◽  
De Novo ◽  
Drug Repurposing ◽  
Therapeutic Agents ◽  
The Novel ◽  
Novel Coronavirus ◽  
The Cost

The outbreak of the novel coronavirus disease COVID-19, caused by the SARS-CoV-2 virus has killed over 5 million people to date. Despite the introduction of population-wide vaccination drives, countries such as Austria and Germany are witnessing the re-emergence of infections and deaths. Scientists, administrators and clinicians are scrambling to find solutions that include vaccines, and active therapeutic agents. So, there is an urgent requirement for new and effective medications that can treat the disease caused by SARS-CoV-2. Artificial intelligence (AI) enabled drug repurposing, has the potential to shorten the time and reduce the cost compared to de novo drug discovery.

Use of Artificial Intelligence (AI) in Fighting With the Novel Coronavirus (COVID-19)

2021 ◽  
pp. 21-30
Author(s):  
Anuja Rajendra Jadhav ◽  
Roshani Raut ◽  
Ram Joshi ◽  
Pranav D. Pathak ◽  
Anuja R. Zade
Keyword(s):  
Artificial Intelligence ◽  
Drug Discovery ◽  
Active Learning ◽  
The Novel ◽  
Response Recovery ◽  
Control And Prevention ◽  
Virus Attack ◽  
Detection Response ◽  
Novel Coronavirus

2020 started with the outbreak of the novel coronavirus (COVID-19) virus. In this panic situation, the combination of artificial intelligence (AI) can help us in fight against the deadliest virus attack worldwide. This tool can be used to control and prevention of the outbreak disease. The AI tool can be helpful in prediction, detection, response, recovery, drug discovery of the disease. The AI-driven tools can be used in identifying the nature of outbreak as well as in forecasting the spread and coverage worldwide. In this case, so many AI-based tools can be applied and trained using active learning-based models for the detection, prevention, treatment, and recovery of the patients. Also, they can help us for identifying infected persons from the non-infected to stop the spread of the virus. This chapter mainly focuses on the AI-assisted methodology and models that can help in fighting COVID-19.

scholarly journals Drug Repurposing Strategy (DRS): Emerging Approach to Identify Potential Therapeutics for Treatment of Novel Coronavirus Infection

2021 ◽  
Vol 8 ◽  
Author(s):  
Biswa Mohan Sahoo ◽  
B. V. V. Ravi Kumar ◽  
J. Sruti ◽  
Manoj Kumar Mahapatra ◽  
Bimal K. Banik ◽  
...  
Keyword(s):  
Drug Discovery ◽  
Drug Development ◽  
Drug Repositioning ◽  
Drug Repurposing ◽  
Therapeutic Agents ◽  
Free Energy Calculations ◽  
Pharmacokinetic Property ◽  
The Novel ◽  
Drug Candidates ◽  
Drug Molecules

Drug repurposing is also termed as drug repositioning or therapeutic switching. This method is applied to identify the novel therapeutic agents from the existing FDA approved clinically used drug molecules. It is considered as an efficient approach to develop drug candidates with new pharmacological activities or therapeutic properties. As the drug discovery is a costly, time-consuming, laborious, and highly risk process, the novel approach of drug repositioning is employed to increases the success rate of drug development. This strategy is more advantageous over traditional drug discovery process in terms of reducing duration of drug development, low-cost, highly efficient and minimum risk of failure. In addition to this, World health organization declared Coronavirus disease (COVID-19) as pandemic globally on February 11, 2020. Currently, there is an urgent need to develop suitable therapeutic agents for the prevention of the outbreak of COVID-19. So, various investigations were carried out to design novel drug molecules by utilizing different approaches of drug repurposing to identify drug substances for treatment of COVID-19, which can act as significant inhibitors against viral proteins. It has been reported that COVID-19 can infect human respiratory system by entering into the alveoli of lung via respiratory tract. So, the infection occurs due to specific interaction or binding of spike protein with angiotensin converting enzyme-2 (ACE-2) receptor. Hence, drug repurposing strategy is utilized to identify suitable drugs by virtual screening of drug libraries. This approach helps to determine the binding interaction of drug candidates with target protein of coronavirus by using computational tools such as molecular similarity and homology modeling etc. For predicting the drug-receptor interactions and binding affinity, molecular docking study and binding free energy calculations are also performed. The methodologies involved in drug repurposing can be categorized into three groups such as drug-oriented, target-oriented and disease or therapy-oriented depending on the information available related to quality and quantity of the physico-chemical, biological, pharmacological, toxicological and pharmacokinetic property of drug molecules. This review focuses on drug repurposing strategy applied for existing drugs including Remdesivir, Favipiravir, Ribavirin, Baraticinib, Tocilizumab, Chloroquine, Hydroxychloroquine, Prulifloxacin, Carfilzomib, Bictegravir, Nelfinavir, Tegobuvir and Glucocorticoids etc to determine their effectiveness toward the treatment of COVID-19.

scholarly journals SAveRUNNER: an R-based tool for drug repurposing

2021 ◽  
Vol 22 (1) ◽  
Author(s):  
Giulia Fiscon ◽  
Paola Paci
Keyword(s):  
Drug Discovery ◽  
Drug Targets ◽  
De Novo ◽  
Herd Immunity ◽  
Drug Repurposing ◽  
Human Interactome ◽  
Off Label ◽  
Disease Associations ◽  
Associated Proteins ◽  
Novel Coronavirus

Abstract Background Currently, no proven effective drugs for the novel coronavirus disease COVID-19 exist and despite widespread vaccination campaigns, we are far short from herd immunity. The number of people who are still vulnerable to the virus is too high to hamper new outbreaks, leading a compelling need to find new therapeutic options devoted to combat SARS-CoV-2 infection. Drug repurposing represents an effective drug discovery strategy from existing drugs that could shorten the time and reduce the cost compared to de novo drug discovery. Results We developed a network-based tool for drug repurposing provided as a freely available R-code, called SAveRUNNER (Searching off-lAbel dRUg aNd NEtwoRk), with the aim to offer a promising framework to efficiently detect putative novel indications for currently marketed drugs against diseases of interest. SAveRUNNER predicts drug–disease associations by quantifying the interplay between the drug targets and the disease-associated proteins in the human interactome through the computation of a novel network-based similarity measure, which prioritizes associations between drugs and diseases located in the same network neighborhoods. Conclusions The algorithm was successfully applied to predict off-label drugs to be repositioned against the new human coronavirus (2019-nCoV/SARS-CoV-2), and it achieved a high accuracy in the identification of well-known drug indications, thus revealing itself as a powerful tool to rapidly detect potential novel medical indications for various drugs that are worth of further investigation. SAveRUNNER source code is freely available at https://github.com/giuliafiscon/SAveRUNNER.git, along with a comprehensive user guide.

Recent Advances in Drug Repurposing for Parkinson’s Disease

2019 ◽  
Vol 26 (28) ◽  
pp. 5340-5362 ◽  
Author(s):  
Xin Chen ◽  
Giuseppe Gumina ◽  
Kristopher G. Virga
Keyword(s):  
Parkinson’S Disease ◽  
Parkinson's Disease ◽  
Drug Discovery ◽  
De Novo ◽  
Drug Repositioning ◽  
Drug Repurposing ◽  
Cost Effective ◽  
New Drugs ◽  
Recent Advances ◽  
Clinical Drugs

:As a long-term degenerative disorder of the central nervous system that mostly affects older people, Parkinson’s disease is a growing health threat to our ever-aging population. Despite remarkable advances in our understanding of this disease, all therapeutics currently available only act to improve symptoms but cannot stop the disease progression. Therefore, it is essential that more effective drug discovery methods and approaches are developed, validated, and used for the discovery of disease-modifying treatments for Parkinson’s disease. Drug repurposing, also known as drug repositioning, or the process of finding new uses for existing or abandoned pharmaceuticals, has been recognized as a cost-effective and timeefficient way to develop new drugs, being equally promising as de novo drug discovery in the field of neurodegeneration and, more specifically for Parkinson’s disease. The availability of several established libraries of clinical drugs and fast evolvement in disease biology, genomics and bioinformatics has stimulated the momentums of both in silico and activity-based drug repurposing. With the successful clinical introduction of several repurposed drugs for Parkinson’s disease, drug repurposing has now become a robust alternative approach to the discovery and development of novel drugs for this disease. In this review, recent advances in drug repurposing for Parkinson’s disease will be discussed.

The Antiviral and Antimalarial Drug Repurposing in Quest of Chemotherapeutics to Combat COVID-19 Utilizing Structure-Based Molecular Docking

2020 ◽  
Vol 23 ◽  
Author(s):  
Sisir Nandi ◽  
Mohit Kumar ◽  
Mridula Saxena ◽  
Anil Kumar Saxena
Keyword(s):  
Molecular Docking ◽  
In Silico ◽  
Drug Repurposing ◽  
Clinical Settings ◽  
The Novel ◽  
In Silico Docking ◽  
Biochemical Mechanisms ◽  
Novel Coronavirus ◽  
In Silico Molecular Docking

Background: The novel coronavirus disease (COVID-19) is caused by a new strain (SARS-CoV-2) erupted in 2019. Nowadays, it is a great threat that claims uncountable lives worldwide. There is no specific chemotherapeutics developed yet to combat COVID-19. Therefore, scientists have been devoted in the quest of the medicine that can cure COVID- 19. Objective: Existing antivirals such as ASC09/ritonavir, lopinavir/ritonavir with or without umifenovir in combination with antimalarial chloroquine or hydroxychloroquine have been repurposed to fight the current coronavirus epidemic. But exact biochemical mechanisms of these drugs towards COVID-19 have not been discovered to date. Method: In-silico molecular docking can predict the mode of binding to sort out the existing chemotherapeutics having a potential affinity towards inhibition of the COVID-19 target. An attempt has been made in the present work to carry out docking analyses of 34 drugs including antivirals and antimalarials to explain explicitly the mode of interactions of these ligands towards the COVID-19protease target. Results: 13 compounds having good binding affinity have been predicted towards protease binding inhibition of COVID-19. Conclusion: Our in silico docking results have been confirmed by current reports from clinical settings through the citation of suitable experimental in vitro data available in the published literature.

Recent Drug-Repurposing-Driven Advances in the Discovery of Novel Antibiotics

2019 ◽  
Vol 26 (28) ◽  
pp. 5363-5388 ◽  
Author(s):  
Ananda Kumar Konreddy ◽  
Grandhe Usha Rani ◽  
Kyeong Lee ◽  
Yongseok Choi
Keyword(s):  
Drug Discovery ◽  
Bacterial Infections ◽  
De Novo ◽  
Genetic Disorder ◽  
Antibacterial Properties ◽  
Drug Repurposing ◽  
Global Public Health ◽  
Approved Drugs ◽  
Fda Approved Drugs ◽  
Novel Antibiotics

: Drug repurposing is a safe and successful pathway to speed up the novel drug discovery and development processes compared with de novo drug discovery approaches. Drug repurposing uses FDA-approved drugs and drugs that failed in clinical trials, which have detailed information on potential toxicity, formulation, and pharmacology. Technical advancements in the informatics, genomics, and biological sciences account for the major success of drug repurposing in identifying secondary indications of existing drugs. Drug repurposing is playing a vital role in filling the gap in the discovery of potential antibiotics. Bacterial infections emerged as an ever-increasing global public health threat by dint of multidrug resistance to existing drugs. This raises the urgent need of development of new antibiotics that can effectively fight multidrug-resistant bacterial infections (MDRBIs). The present review describes the key role of drug repurposing in the development of antibiotics during 2016–2017 and of the details of recently FDA-approved antibiotics, pipeline antibiotics, and antibacterial properties of various FDA-approved drugs of anti-cancer, anti-fungal, anti-hyperlipidemia, antiinflammatory, anti-malarial, anti-parasitic, anti-viral, genetic disorder, immune modulator, etc. Further, in view of combination therapies with the existing antibiotics, their potential for new implications for MDRBIs is discussed. The current review may provide essential data for the development of quick, safe, effective, and novel antibiotics for current needs and suggest acuity in its effective implications for inhibiting MDRBIs by repurposing existing drugs.

scholarly journals Intolerance of uncertainty predicts fear of healthcare settings but not desire for testing during the novel coronavirus pandemic

2021 ◽  
Vol 1 (1) ◽  
Author(s):  
Milen L. Radell ◽  
Brian M. McGuire
Keyword(s):  
Medical Information ◽  
Health Anxiety ◽  
Intolerance Of Uncertainty ◽  
Healthcare Setting ◽  
The United States ◽  
General Tendency ◽  
The Novel ◽  
Healthcare Settings ◽  
Novel Coronavirus ◽  
The Cost

AbstractThe novel coronavirus (COVID-19) pandemic has caused unprecedented uncertainty, and differences in how people cope with this uncertainty will influence the cost of viral pandemics to both individuals and society. The personality trait of intolerance of uncertainty (IU), defined as a dispositional fear of the unknown, has been linked to higher health anxiety and fear of the virus. Although IU may increase the desire for medical information and treatment, during pandemics, this might be weighed against the risk of becoming infected while in a healthcare setting. We examined whether people with higher IU report greater fear of healthcare settings, and show more desire to be tested for the virus. Residents of the United States (n = 149) were surveyed in early May 2020, while most states had active stay-at-home orders. Higher prospective but not inhibitory IU predicted more fear of healthcare settings. The largest effect size, however, was for fear of leaving the home, indicating a general tendency toward fear and avoidance. Fear of leaving the home, perceiving the virus as dangerous, access to testing, and having symptoms were significant predictors of desire for testing.

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 COVID-19 in Africa: The cost of perceived low incidence rates

2021 ◽  
Vol 2 (1) ◽  
pp. 050-054
Author(s):  
David Olufemi Adesanya ◽  
Precious Chidozie Azubuike
Keyword(s):  
Viral Disease ◽  
Information Management System ◽  
Incidence Rates ◽  
The Novel ◽  
African Countries ◽  
Care Workers ◽  
Low Incidence ◽  
Novel Coronavirus ◽  
The Cost ◽  
The Impact

COVID-19 is a viral disease caused by the novel coronavirus and has hit many countries of the world heavily. The impact of COVID-19 in Africa, is contrary to the experts and professional predictions. Most African have very poor healthcare systems, water supply, sanitary environment and other factors that are requisite to combating the spread of the virus. Reports on COVID-19 incidence from Africa may not be a true reflection of the actual situation. The poor health information management system predominant in most African countries and the inability to carry out effective testing for cases could be responsible for this reported low incidence rates. The implications of perceived low incidence constitute a burden to governments of nations, health care workers, educational and other institutions, communities, women and girls; as well as members of the population. As the virus spreads across Africa, there is a need to improve active case finding and report same to enable effective planning and resource mobilization towards containing the spread of the virus.

scholarly journals Indicator Regularized Non-Negative Matrix Factorization Method-Based Drug Repurposing for COVID-19

2021 ◽  
Vol 11 ◽  
Author(s):  
Xianfang Tang ◽  
Lijun Cai ◽  
Yajie Meng ◽  
JunLin Xu ◽  
Changcheng Lu ◽  
...  
Keyword(s):  
Matrix Factorization ◽  
De Novo ◽  
Characteristic Curve ◽  
Drug Repurposing ◽  
Factorization Method ◽  
Therapeutic Drugs ◽  
Indicator Matrix ◽  
Novel Coronavirus ◽  
Approved Drugs ◽  
Non Negative Matrix Factorization

A novel coronavirus, named COVID-19, has become one of the most prevalent and severe infectious diseases in human history. Currently, there are only very few vaccines and therapeutic drugs against COVID-19, and their efficacies are yet to be tested. Drug repurposing aims to explore new applications of approved drugs, which can significantly reduce time and cost compared with de novo drug discovery. In this study, we built a virus-drug dataset, which included 34 viruses, 210 drugs, and 437 confirmed related virus-drug pairs from existing literature. Besides, we developed an Indicator Regularized non-negative Matrix Factorization (IRNMF) method, which introduced the indicator matrix and Karush-Kuhn-Tucker condition into the non-negative matrix factorization algorithm. According to the 5-fold cross-validation on the virus-drug dataset, the performance of IRNMF was better than other methods, and its Area Under receiver operating characteristic Curve (AUC) value was 0.8127. Additionally, we analyzed the case on COVID-19 infection, and our results suggested that the IRNMF algorithm could prioritize unknown virus-drug associations.

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