Ligand-based drug design

{
  "id": "MLC-T-CHM-006575",
  "term": "Ligand-based drug design",
  "field": "Chemistry",
  "definition": "A computational approach to drug discovery that relies on knowledge of known active molecules (ligands) to design new compounds with similar biological activity. This method is employed when the three-dimensional structure of the biological target is unknown. Techniques include pharmacophore modeling, quantitative structure-activity relationships (QSAR), and molecular similarity searches.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "analogue-based drug discovery",
    "analogue",
    "molecular target"
  ],
  "references": [
    "PAC, 2013, 85, 1725. 'Glossary of terms used in medicinal chemistry. Part II (IUPAC Recommendations 2013)' on page 1739 (https://doi.org/10.1351/PAC-REC-12-11-23)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/ligand-based-drug-design/"
}