Aspirin–COX Binding: A Simplified Quantum Model for Modern Drug Discovery

Drug discovery aims to identify molecules that interact effectively with biological targets to produce therapeutic effects. Aspirin, one of the most widely used drugs, serves as a classic example of how understanding molecular binding simplifies drug design. Aspirin functions by binding to the cyclooxygenase (COX) enzyme, where it acetylates a serine residue in the active site, leading to the irreversible inhibition of prostaglandin synthesis. This mechanism reduces pain, fever, and inflammation. The study of aspirin’s binding process has provided a foundation for the rational design of newer anti-inflammatory drugs and has illustrated how computational and structural biology tools can streamline modern drug-discovery approaches. By focusing on simple yet effective binding interactions, researchers can develop safer and more efficient therapeutic agents.