Chapter 1: Fundamentals of Computational Drug Design Approaches (CADD) -- Chapter 2: Molecular and Computational Modeling in Drug Design -- Chapter 3: Bioinformatics/Chemo-informatics Tools and Database in Drug Discovery -- Chapter 4: Computational Screening of Phytochemicals/Natural Products in Drug Discovery -- Chapter 5: Virtual Screening in Lead Discovery and Optimization -- Chapter 6: Target-based Screening (SBDD) in Lead Discovery -- Chapter 7: Pharmacophore-based and Similarity Search (LBDD) Screening in Lead Discovery -- Chapter 8: Receptor-based De Novo and Fragment-based Drug Design -- Chapter 9: Artificial Intelligence and Machine Learning in Drug Discovery -- Chapter 10: Network Pharmacology and System Biology Approaches -- Chapter 11: In Silico Pharmacology and Drug Repurposing Approaches -- Chapter 12: Advances in Bioinformatics and Computational Approaches in Drug Discovery -- Chapter 13: Challenges in Bioinformatics and Computational Approaches in Drug Discovery.