MLchartDataset catalogue

Pharmacophore

Term · Chemistry · MLC-T-CHM-008726

An ensemble of steric and electronic features in a molecule that is necessary to produce a specific biological response through interaction with a target macromolecule. It is an abstract model that describes the spatial arrangement of key molecular properties, such as hydrogen bond donors, acceptors, and hydrophobic regions. This concept is used in computational chemistry to design and screen for new drug candidates.

Table 1. Record
IdentifierMLC-T-CHM-008726
FieldChemistry
SubjectChemistry and Human Health
ReferencesPAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 252 (https://doi.org/10.1515/pac-2012-1204)
Record as JSON
{
  "id": "MLC-T-CHM-008726",
  "term": "Pharmacophore",
  "field": "Chemistry",
  "definition": "An ensemble of steric and electronic features in a molecule that is necessary to produce a specific biological response through interaction with a target macromolecule. It is an abstract model that describes the spatial arrangement of key molecular properties, such as hydrogen bond donors, acceptors, and hydrophobic regions. This concept is used in computational chemistry to design and screen for new drug candidates.",
  "subject": "Chemistry and Human Health",
  "references": [
    "PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 252 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/pharmacophore/"
}

Record 9,263 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.