Table of Contents
Cover image
Title page
Copyright
List of contributors
Preface
Acknowledgments
Chapter 1. Overview of coronavirus pandemic
Abstract
1.1 Emergence and transmission of severe acute respiratory syndrome-Coronavirus-2
1.2 Case-fatality rate and mortality
1.3 Global response to manage
1.4 Future perspectives
References
Chapter 2. Epidemiology, transmission and pathogenesis of SARSCoV-2
Abstract
2.1 Introduction
2.2 The emergence of Coronavirus disease-2019 as a pandemic
2.3 Origin and transmission of severe acute respiratory syndrome-Coronavirus-2
2.4 Infectiousness and transmissibility severe acute respiratory syndrome-Coronavirus-2
2.5 Pathogenesis of Coronavirus disease-2019
2.6 Effect of host factors on Coronavirus disease-2019 pathogenesis
2.7 Conclusion Acknowledgment
References
Chapter 3. The global impact of pandemics on world economy and public health response
Abstract
3.1 History of pandemics
3.2 Impact of pandemics on global economy
3.3 Public health response to pandemics and other public health emergencies of international concerns
3.4 Future perspectives
References
Chapter 4. Genomic, proteomic and metabolomic profiling of severe acute respiratory syndrome-Coronavirus-2
Abstract
4.1 Introduction
4.2 Genomics of severe acute respiratory syndrome Coronavirus 2
4.3 Proteome of severe acute respiratory syndrome Coronavirus 2
4.4 Alteration of host metabolome during severe acute respiratory syndrome-Coronavirus-2 infection
4.5 Conclusion
References
Chapter 5. Currently available drugs for the treatment of Coronavirus-2
Abstract
5.1 Introduction
5.2 Anticoagulants
5.3 Role of anticoagulants in Coronavirus disease 2019
5.4 Antivirals
5.5 Lopinavir/ritonavir
5.6 Immunomodulators
5.7 Tocilizumab
5.8 Baricitinib
5.9 Monoclonal antibodies
5.10 Sotrovimab
5.11 Bamlanivimab plus etesevimab
5.12 Investigational therapies
5.13 Convalescent plasma
5.14 Hydroxychloroquine and chloroquine
5.15 2-Deoxy D-glucose (2-DG)
5.16 Future perspectives
5.17 Conclusion
References
Chapter 6. Holistic strategies to mitigate the economic, societal, and health burden of the Coronavirus disease-2019 pandemic
Abstract
6.1 Introduction
6.2 Multifaceted effects of Coronavirus disease-2019 on global economy and cushioning strategies
6.3 The policy supports across the globe
6 4 Reflection of the crisis
6.5 Ways to survive, strive, and thrive
6.6 Societal impact and diminution strategies to mitigate Coronavirus disease-2019 pandemic burdens
6.7 Causes of increasing domestic violence in lockdown phase
6.8 Strategies to mitigate Coronavirus disease-2019 related societal problems
6.9 The health burden of Coronavirus disease-2019 pandemic and amelioration strategies
6.10 Post-Coronavirus disease complications
6.11 Coronavirus disease-2019 and mental health
6.12 Mitigation strategies to ameliorate the Coronavirus disease-2019 health burden
6.13 Futuristic approaches and conclusion
References
Chapter 7. Natural products as a therapy to combat against SARSCoV-2 virus infection
Abstract
7.1 Introduction
7.2 Natural molecules targeting TMPRSS2
7.3 Natural molecules targeting RdRp
7.4 Concluding remarks
References
Chapter 8. Advanced high-throughput biosensor-based diagnostic approaches for detection of severe acute respiratory syndromecoronavirus-2
Abstract
8.1 Introduction
8 2 Conventional diagnostic approaches for severe acute respiratory syndrome-coronavirus-2
8.3 Biosensors as proof of concepts for rapid detection of severe acute respiratory syndrome-Coronavirus-2
8.4 Recent advances in high-throughput biosensor-based diagnostics
8.5 Conclusion and future perspectives
Acknowledgment
References
Chapter 9. Pharmacophore mapping and modeling approaches for drug development
Abstract
9.1 Pharmacophore: an introduction
9.2 Ligand-bound pharmacophore
9.3 Structure-based pharmacophore
9.4 Structure–activity relationship role with pharmacophore features
9.5 A “multiple compounds-multiple drug targets”-model approach of phytochemical screening of potential lead candidates for multiple targets using pharmacophore approach
9.6 Indian traditional natural compound pharmacophore screening for nonstructural proteins
9.7 Nonstructural protein 1 virtual screening
9.8 Nonstructural protein 3 and its subdomain virtual screening
9.9 Papain-like protease and 3CLpro/nonstructural protein 5
9.10 Nonstructural proteins 7–8 (copy assistants)
9.11 Nonstructural protein 9 virtual screening
9.12 Nonstructural protein 10/11 with nonstructural protein 14 and 16
9.13 RNA-dependent RNA polymerase (RdRp) or nonstructural protein 12
9 14 Nonstructural protein 13 or helicases
9.15 Nonstructural protein 14 or N7-methyltransferase
9.16 Nonstructural protein 15 or endoribonuclease
9.17 Nonstructural protein 16 or 2′-O-methyltransferases
9.18 Multiple profiling of pharmacophore and compounds
9.19 Conclusion
Disclosure of interest
References
Chapter 10. Quantitative structure–activity relationship-based computational approaches
Abstract
10.1 Introduction
10.2 The importance of quantitative structure–activity relationship
10.3 Requirements to generate a good quantitative structure–activity relationship model
10.4 Applications of quantitative structure–activity relationship in various fields
10.5 The different stages of advancement of quantitative structure–activity relationship
10.6 Molecular descriptors
10.7 Methods of quantitative structure–activity relationship
10.8 Data analysis methods
10.9 Quantitative structure–activity relationship model validation
10.10 Quantitative structure–activity relationship and Coronavirus disease-2019
10.11 Conclusion
References
Chapter 11. Molecular docking and molecular dynamic simulation approaches for drug development and repurposing of drugs for severe acute respiratory syndrome-Coronavirus-2
Abstract
11.1 Introduction
11.2 Drug discovery and development pipelines
11.3 Computational approaches for drug discovery and development
11.4 Drug repurposing: an overview
11.5 Molecular docking and molecular dynamics simulation tools for drug development against severe acute respiratory syndrome-Coronavirus-2 infections
11.6 Current trends and future perspectives
11.7 Conclusion
References
Chapter 12. Computational approaches for drug repositioning and repurposing to combat SARS-CoV-2 infection
Abstract
12.1 Introduction: COVID-19: challenges and issues
12.2 Conventional drug discovery versus drug repurposing
12.3 Strategies and approaches of drug repurposing
12.4 Computational tools used for drug repurposing
12.5 Drug-repurposing strategies for COVID-19
12.6 Drugs proposed by computational methods that are under clinical trials
12.7 Future prospects and conclusion
Acknowledgments
Disclosure of interest
References
Chapter 13. System and network biology-based computational approaches for drug repositioning
Abstract
13.1 Introduction
13 2 Approaches of system biology towards drug repositioning
13.3 Computational approaches used in systems biology
13.4 Drug repositioning strategies
13 5 Validation of computational drug repositioning
13.6 Recent systems biology and network-based approaches for drug repositioning for Coronavirus disease-2019
13.7 Future aspects
13.8 Concluding remark
References
Chapter 14. Databases, DrugBank, and virtual screening platforms for therapeutic development
Abstract
14.1 Introduction
14.2 LitCovid
14.3 Gess
14.4 CORDITE
14.5 SARSCOVIDB
14.6 Severe acute respiratory syndrome-Coronavirus-2 threedimensional
14.7 Coronavirus disease-2019 CG
14.8 Coronavirus-AbDab
14 9 Coronavirus-GLUE
14.10 CoV2ID
14.11 ZINC
14 12 VIStEDD
14.13 SMART
14.14 Immune epitope database
14.15 SWISS-MODEL
14.16 Iterative threading assembly refinement
14.17 Drugs against severe acute respiratory syndromeCoronavirus-2
14.18 Advantages and disadvantages
14 19 Virtual screening platforms
14.20 Webservers
14.21 Conclusion
14 22 Future prospective References
Chapter 15. Absorption, distribution, metabolism, excretion, and toxicity assessment of drugs using computational tools
Abstract
15.1 Introduction
15 2 Molecular modeling
15.3 Ligand-based methods
15.4 Structure-based methods
15 5 Databases
15.6 Machine learning-based approach
15.7 Aborption, distribution, metabolism, excretion, and toxicity predictors and tools
15.8 Conclusion
References
Chapter 16. Immunoinformatics and reverse vaccinomic approaches for effective design
Abstract
16.1 Introduction
16.2 Conclusion
References
Chapter 17. Artificial intelligence-based drug screening and drug repositioning tools and their application in the present scenario
Abstract
17.1 Introduction
17.2 Current state-of-the-art of artificial intelligence in drug discovery
17.3 Advantages and drawbacks
17.4 Challenges of artificial intelligence in drug discovery
17.5 Opportunities and future prospects
Acknowledgments
References
Chapter 18. Machine Learning and Deep Learning based AI Tools for Development of Diagnostic Tools
Abstract
18 1 Introduction
18.2 Artificial intelligence for medical diagnosis
18.3 Machine learning and deep learning-based artificial intelligence tools
18.4 Machine learning for diagnostic applications
18.5 Deep learning in diagnostic applications
18.6 Objectives and challenges of severe acute respiratory syndrome-Coronavirus-2 diagnostic tools
18.7 Diagnostic tools for severe acute respiratory syndromeCoronavirus-2 case study
18.8 Summary
References
Chapter 19. Present therapeutic and diagnostic approaches for SARS-CoV-2 infection
Abstract
19.1 Introduction
19.2 Therapeutic approaches for the treatment of Coronavirus disease-2019
19.3 Diagnosis of severe acute respiratory syndromeCoronavirus-2 pathogenesis
19.4 Concluding remarks and future prospects
Acknowledgment
References
Chapter 20. Clinically available/under trial drugs and vaccines for treatment of SARS-COV-2
Abstract
20.1 Introduction
20 2 Structure, symptoms, and remedies
20.3 Important drug target of SARS-COV-2
20.4 Various therapeutic approaches
20 5 Drugs being used
20.6 Approaches for vaccine against SARS-COV-2
20.7 Currently available/under clinical trial vaccines
20 8 Future prospects
20.9 Conclusion
References
Chapter 21. Present and future challenges in therapeutic designing using computational approaches
Abstract
21.1 Introduction
21.2 Therapeutic designing using computational approaches
21.3 Design of nucleic acid-based therapeutics and related issues
21.4 Computational therapeutic design and Coronavirus disease-2019
21.5 Present and future challenges in the design of therapeutic strategies
21.6 Conclusion
References
Chapter 22. Digital healthcare data management using blockchain technology in genomics and COVID-19
Abstract
22.1 Introduction
22.2 Literature review
22.3 Summary and conclusion
References
Chapter 23. Prediction of drug–target interaction a helping hand in drug repurposing
Abstract
23.1 Introduction
23.2 Drug–target interaction and SARS-CoV-2
23.3 Conclusion
References
Chapter 24. Artificial intelligence methods to repurpose and discover new drugs to fight the Coronavirus disease-2019 pandemic
Abstract
24.1 Introduction
24.2 Artificial intelligence in drug discovery
24.3 Selected drug repurposing strategies
24.4 Future perspectives and challenges
24.5 Conclusions
References
Chapter 25. Severe acute respiratory syndrome coronavirus-2: An era of struggle and discovery leading to the emergency use authorization of treatment and prevention measures based on computational analysis
Abstract
25.1 Introduction
25.2 Severe acute respiratory syndrome-Coronavirus-2
25.3 Coronavirus disease-2019 treatment options
25.4 Coronavirus disease-2019 vaccinations
25.5 Severe acute respiratory syndrome-Coronavirus-2 variants
25.6 Current challenges and future perspective
25.7 Summary References Index
Copyright
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List of contributors
Rupal Agnihotri, Department of Biotechnology, Maharani
Lakshmi Ammanni College for Women, Bangalore, Karnataka, India
Lakshmi Jayasri Akkiraju, Des’s Fergusson Centre for Higher Learning, Chi oor, Andhra Pradesh, India
T. Anbarasan, Department of Pulmonary Medicine, All India Institute of Medical Sciences (AIIMS), Bhopal, Madhya Pradesh, India
Laura Margarita Artiga-Sainz, Department of Internal Medicine, University Hospital of Caen, Caen, France
Dinesh Babu, Faculty of Pharmacy and Pharmaceutical Sciences, University of Alberta, Edmonton, AB, Canada
Hemant Ramachandra Badwaik, Rungta College of Pharmaceutical Sciences and Research, Bhilai, Chha isgarh, India
Nikitha Bajare, Department of Biochemistry, Maharani Lakshmi Ammanni College for Women, Bangalore, Karnataka, India
Sugato Banerjee, Department of Pharmacology and Toxicology, National Institute of Pharmaceutical Education and Research, Kolkata, West Bengal, India
Mahaly Baptiste, Department of Biology, University of HoustonVictoria, Victoria, TX, United States
S. Nisar Basha, Department of Mechanical Engineering, Indian Institute of Information Technology Design & Manufacturing, Chennai, Tamil Nadu, India
Alpana Bastikar, Navin Saxena Research and Technology Pvt. Ltd, Gandhidham, Gujarat, India
Virupaksha Bastikar, Amity Institute of Biotechnology, Amity University, Mumbai, Maharashtra, India
Amitava Basu, Department of Commerce, Banwarilal Bhalotia College, Asansol, West Bengal, India
Sreenivas Reddy Bathula, Savi Easy Life s.r.o., Praha, Czech Republic
Juan Sánchez-Verde Bilbao, llustration Unit, Fundación Jiménez
Díaz University Hospital, Madrid, Spain
Debasis Biswas
Department of Microbiology, All India Institute of Medical Sciences, Bhopal, Madhya Pradesh, India
Regional Virology Laboratory, All India Institute of Medical Sciences, Bhopal, Madhya Pradesh, India
Hankhray Boro, Department of Biotechnology, Bodoland University, Kokrajhar, Assam, India
Rakhi Chowdhury, Department of Political Science, T. D. B. College, Raniganj, West Bengal, India
Anjlina David, School of Applied Sciences, REVA University, Rukmini Knowledge Park, Bangalore, Karnataka, India
V.R. Devaraj, Department of Biochemistry, Bengaluru City University, Bengaluru, Karnataka, India
Hashimul Ehsan, Department of Biology, University of HoustonVictoria, Victoria, TX, United States
Tripta Garg, Scientist D, DSIR-Ministry of Science and Technology, New Delhi, India
Purvi Goel, Department of Biotechnology, Centre for Biotechnology, Anna University, Chennai, Tamil Nadu, India
Abhishek Goyal, Department of Pulmonary Medicine, All India Institute of Medical Sciences (AIIMS), Bhopal, Madhya Pradesh, India
Arvind Kumar Goyal, Department of Biotechnology, Bodoland University, Kokrajhar, Assam, India
Pramodkumar Gupta, School of Biotechnology and Bioinformatics, D Y Patil Deemed to be University, Navi Mumbai, Maharashtra, India
Sayan Du a Gupta, KIST Gangneung Institute of Natural Products, Gangneung, Republic of Korea
Sudheer Gupta, 3B BlackBio Biotech India Ltd, Bhopal, Madhya Pradesh, India
Shoumi Haldar, School of Applied Sciences, REVA University, Rukmini Knowledge Park, Bangalore, Karnataka, India
Subhajit Hazra, University Institute of Pharmaceutical Sciences, Chandigarh University, Gaurhan, Punjab, India
Adrián Ibáñez-Navarro, Department of Orthopedic Surgery and Traumatology, Asepeyo Coslada Hospital, Coslada, Spain
Gen Kaneko, Department of Biology, University of HoustonVictoria, Victoria, TX, United States
Raju Khan
CSIR-Advanced Materials and Processes Research Institute (AMPRI), Bhopal, Madhya Pradesh, India
Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, U ar Pradesh, India
Prashant Khare, Department of Microbiology, All India Institute of Medical Sciences, Bhopal, Madhya Pradesh, India
Anand Krishnamurthy, Dassault Systemes, Chennai, Tamil Nadu, India
Ashok Kumar, Department of Biochemistry, All India Institute of Medical Sciences (AIIMS), Bhopal, Madhya Pradesh, India
