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In Silico Modeling of Drugs Against Coronaviruses: Computational Tools and Protocols (Methods in Pharmacology and Toxicology)

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In Silico Modeling of Drugs Against Coronaviruses: Computational Tools and Protocols (Methods in Pharmacology and Toxicology), Sofia Aires M. Martins, 9781071613689

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Section I: Introduction 1. History and Recent Advances in Coronavirus Discovery Sora Abdul-Fattah, Aman Pal, Nagham Kaka, and Pramath Kakodkar 2. The Origin, Transmission, and Clinical Therapies in the Management of Coronavirus Diseases Nagham Kaka, Aman Pal, Sora Abdul-Fattah, and Pramath Kakodkar 3. Transmission, Medical Consequences, and Prevention/Treatment of COVID-19 Infection Suliman Khan, Rabeea Siddique, and Aigerim Bizhanova 4. Molecular-Level Targets for Development of Therapies Against Coronavirus Diseases Qiongqiong Angela Zhou, Roger Granet, and Linda V. Garner 5. Candidate Drugs for the Potential Treatment of Coronavirus Diseases Thanigaimalai Pillaiyar, Manoj Manickam, Sangeetha Meenakshisundaram, and Ajith Jerome Benjamine Section II: Tools and Methodologies 6. Ligand-Based Approaches for Development of Drugs Against SARS-CoV-2 Ekampreet Singh, Rameez Jabeer Khan, Rajat Kumar Jha, Gizachew Muluneh Amera, Monika Jain, Rashmi Prabha Singh, Jayaraman Muthukumaran, and Amit Kumar Singh 7. Computational Drug Repurposing for Development of Drugs Against Coronaviruses Ekampreet Singh, Rameez Jabeer Khan, Rajat Kumar Jha, Gizachew Muluneh Amera, Monika Jain, Rashmi Prabha Singh, Jayaraman Muthukumaran, and Amit Kumar Singh 8. Computational Methods and Tools for Repurposing of Drugs Against Coronaviruses Sohini Chakraborti, Sneha Bheemireddy, and Narayanaswamy Srinivasan 9. Molecular Multi-Target Approach on COVID-19 for Designing Novel Chemicals Pawan Kumar and Indira Ghosh 10. Structural Bioinformatics to Unveil Weaknesses of Coronavirus Spike Glycoprotein Stability Pietro Bongini, Alfonso Trezza, Monica Bianchini, Ottavia Spiga, and Neri Niccolai 11. Protein-Protein Interaction Network for Identification of New Targets Against Novel Coronavirus Suresh Kumar 12. Nonequilibrium Alchemical Simulations for the Development of Drugs Against COVID-19 Marina Macchiagodena, Maurice Karrenbrock, Marco Pagliai, Guido Guarnieri, Francesco Iannone, and Piero Procacci 13. Therapeutic and Vaccine Strategies for Stopping the COVID-19 Pandemic Based on Structural and Molecular Modelling Studies of Virus-Ganglioside Interactions Jacques Fantini 14. Discovery of Covalent Drugs Targeting the Key Enzymes of SARS-CoV-2 Using SCARdock Qi Song, Zhiying Wang, and Sen Liu 15. Machine Learning Techniques for Development of Drugs Against Coronavirus-2019 (COVID-19): A Case Study Protocol Saurabh Sharma, Ajay Prakash, Phulen Sarma, and Bikash Medhi Section III: Case Studies and Literature Reports 16. Dissecting the Drug Development Strategies Against SARS-CoV-2 Through Diverse Computational Modeling Techniques Nilanjan Adhikari, Sk. Abdul Amin, and Tarun Jha 17. Recent Perspectives on COVID-19 and Computer-Aided Virtual Screening of Natural Compounds for the Development of Therapeutic Agents towards SARS-CoV-2 Dharshini Gopal and Sinosh Skariyachan 18. Computational Modeling of Protease Inhibitors for the Development of Drugs Against Coronaviruses Joseph T. Ortega, Beata Jastrzebska, and Hector R. Rangel 19. Computational Modeling of ACE2-Mediated Cell Entry Inhibitors for the Development of Drugs Against Coronaviruses Priyanka De and Kunal Roy 20. Computational Modeling of RdRp Inhibitors for the Development of Drugs Against Novel Coronavirus (nCoV) Vinay Kumar and Kunal Roy 21. Computational Modeling of Chloroquine Analogues for Development of Drugs Against Novel Coronavirus (nCoV) Vinay Kumar and Kunal Roy 22. Computational Modeling of ACE2 Inhibitors for Development of Drugs Against Coronaviruses Rupa Joshi, Seema Bansal, Deepti Malik, Rubal Singla, Abhishek Mishra, Ajay Prakash, and Bikash Medhi 23. Deep Learning-Based Drug Screening for COVID-19 and Case Studies Konda Mani Saravanan, Haiping Zhang, Md. Tofazzal Hossain, Md. Selim Reza, and Yanjie Wei 24. Virtual Screening of Natural Compounds Targeting Proteases of Coronaviruses and Picornaviruses Sirin Theerawatanasirikul and Porntippa Lekcharoensuk 25. Molecular Simulation Driven Drug Repurposing for Identification of Inhibitors Against Non-Structural Proteins of SARS-CoV-2 Amita Pathak, Bhumika Singh, Dheeraj Kumar Chaurasia, and B. Jayaram Section IV: Online Tools and Databases 26. Online Tools and Antiviral Databases for the Development of Drugs Against Coronaviruses Rahul Balasaheb Aher and Dhiman Sarkar 27. Online Resource and Tools for the Development of Drugs Against Novel Corona Virus Suresh Kumar 28. Drug Databases for Development of Therapeutics Against Coronaviruses Supratik Kar and Jerzy Leszczynski

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