1st Edition
Computational Biology in Drug Discovery and Repurposing
PART 1: SCIENTIFIC APPROACHES TO DATA RETRIEVAL AND THE ROLE OF AI
1. Machine Learning for Drug Designing
Gaganjyot Kaur Bakshi, Romasha Gupta, Uma Chauhan, Isha Gupta, Radhika Chaurasia, Seneha Santoshi, Jitender Kumar, and Mukesh Chourasia
2. Intervention of Artificial Intelligence in Disease Diagnosis
Mousumi Bose, Archana Jagtap, and Tejas Shah
PART 2: COMPUTATIONAL APPROACHES AND BIOINFORMATICS INFORMATION AND APPLICATIONS
3. Bioinformatics for Determining the Active Site of the Target Protein
Vijeta Kumari, Arijit Nandi, Anwesha Das, and Subhash Chander
4. Molecular Docking: A Pertinent Computational Tool in Modern Drug Designing and Discovery
Gauresh Sharma and Archana Vimal
5. Bioinformatics Tools to Study Homology Modeling
Namyaa Kumar, Kunal Saluja, Vaishali Mehta, Mridul Anand, Mukund Sharma, Radhika Chaurasia, Ashok Kumar Gupta, Jitender Kumar, and Mukesh Chourasia
6. Target-Based Drug Designing
Nabanita Mandal and Soumya Lipsa Rath
7. Immunoinformatics in Drug Designing
Anwesha Das, Arijit Nandi, Vijeta Kumari, and Subhash Chander
8. Chemoinformatics in Drug Designing
Mushtaque Shaikh and Anand Chintakrindi
PART 3: DRUG REPURPOSING
9. Drug Repurposing as an Emerging Field in Drug Designing
Ayooshi Mitra, Shrayana Ghosh, and Jutishna Bora
10. Databases in Drug Design
Siddharth Yadav, Atul Bhardwaj, and Puniti Mathur
11. Computational Approach for Drug Repurposing
Farheen Naz, Ritika Parashar, Abhimanyu Kumar Jha, Niraj Kumar Jha, and Saurabh Kumar Jha
PART 4: RESEARCH APPLICATIONS OF COMPUTER-AIDED DRUG DESIGNING (CADD) AND DRUG REPURPOSING
12. De Novo Drug Design Using Computational Tools: Inhibition of CoaBC for Tuberculosis Treatment as a Case Study
Abdulrahim A. Alzain and Fatima A. Elbadwi
13. Role of Artificial Intelligence in Retrosynthesis Analysis of Natural Products for Drug Design
Muhammad Nasir Iqbal and Mahmoud Kandeel
14. Drug Repurposing in the Quest for Newer Therapeutic Options against Cancer
Sohini Chakraborty, Sarbajit Ray and Satarupa Banerjee
15. Computational Approaches to Discover Novel Phytochemical Inhibitors Against Novel Coronavirus (SARS-CoV-2)
Raghunath Satpathy
16. Insights into Computational Repurposing of Drugs for Alzheimer’s Disease
Kushagra Nagori, Madhulika Pradhan, Kartik Tularam Nakhate, Amrita Thakur, Hemant Ramchandra Badwaik, Mukesh Kumar Sharma, and Akshada Dubey
17. Drug Design and Discovery
Reshma Tendulkar and Mugdha Tendulkar
18. Sodium-Proton Transporter Proteins: Clinical Significance as a Potential Drug Target
Manish Dwivedi, Anuradha Yadav, Anusua Sarkar, Nobendu Mukerjee, and Asmita Ghosh
19. Nanoinformatics and Its Role in Drug Designing and Discovery
Asma Siddiqui, Fatima Israr Ansari, and Archana Vimal
20. In silico Homology Modeling to Identify the Anti-Inflammatory Proteins from Raphanus sativus and Brassica olerecea
Subalashmi Elumalai, Deivanai Palanirajan, Elanchezian Elangovan, Aravind Selvaraj, Sridevi Muruhan, and Nirmala Chockalingam
Biography
Rajani Sharma, PhD, is Assistant Professor in the Department of Biotechnology at Amity University Jharkhand, Ranchi, India. She has published research papers, review papers, and book chapters as well as two patents, one national and one international. She is a reviewer for several journals, including Public Health Journal. She is a lifetime member of the Association of Microbiologists of India. Dr. Sharma has participated in a number of national and international conferences.
A. V. Senthil Kumar, PhD, is Director and Professor in the PG and Research Department of Computer Applications at the Hindusthan College of Arts and Science, Coimbatore, India. He has published book chapters, many papers in international and national journals and conferences, and nine edited books. He is Editor-in-Chief for the International Journal of Data Mining and Emerging Technologies and an editorial board member and reviewer for several other international journals. He is a key member of the Machine Intelligence Research Lab (MIR Labs).
Kunal Kumar, PhD, is Assistant Professor at the Amity Institute of Biotechnology, Amity University Jharkhand, Ranchi, India. Dr. Kumar has publications in research journals and book chapters to his credit to date. He has filed one national patent at the patent office of the Govt. of India. He has worked on core areas of enzyme technology and protein science.
