Ligand-based drug design is a method of drug discovery that utilizes knowledge of molecules that bind to a target protein to design new compounds with improved efficacy and safety. This approach relies on the structural and chemical information of known ligands to predict the binding affinity and activity of new drug candidates without requiring detailed knowledge of the target's 3D structure.

Ligand-based Drug Design

Drug discovery is a complex and multi-disciplinary process aimed at identifying new candidate medications, which involves target identification, lead compound discovery, and preclinical testing. The process is often lengthy and costly, requiring collaboration across various scientific fields to ensure the safety and efficacy of new drugs before they reach clinical trials.

Drug Discovery

Molecules that bind to a target protein

New compounds

Improved efficacy

Safety is the condition of being protected from harm or other non-desirable outcomes, often achieved through preventive measures and risk management. It encompasses a wide range of disciplines, including engineering, psychology, and public health, to ensure the well-being of individuals and communities.

Safety

Structural and chemical information

Known ligands

Binding affinity refers to the strength of the interaction between a ligand and its target molecule, often quantified by the equilibrium dissociation constant (Kd). It is a critical parameter in drug design, influencing the efficacy and specificity of therapeutic agents.

Concepts

Relevant Degrees

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