Molecular modeling and drug design -- Bioactive small molecules and drug discovery -- Novel drug targets for small molecule-based drug discovery -- Computer-assisted methods and tools for structure- and ligand-based drug design -- Virtual screening and lead discovery -- ADMET and physicochemical assessments in drug design -- In silico modelling and drug design -- Pharmacophore modelling in drug design -- Scaffold hopping and de novo drug design -- Fragment-based drug design and drug discovery -- AI/ML approaches in drug design -- Network-based methods in drug discovery -- Rational design of natural products for drug discovery -- Rational design of enzyme inhibitors and drug discovery -- Rational design of peptides and protein molecules in drug discovery -- Rational design of drugs for neurodegenerative disorders -- Rational design of anti-inflammatory therapeutics -- Rational design of antibacterials for multi-drug resistant infections -- Rational design of antiviral therapeutics -- Rational design of anticancer therapeutics -- Protac and Protide strategies in drug design -- Advancing Lung Cancer Treatment Through ALK Receptor-Targeted Drug Metabolism and Pharmacokinetics -- Targeting Intrinsically Disordered Proteins (IDPs) in Drug Discovery : Opportunities and Challenges.