molecular entity role

IRI: https://spec.industrialontologies.org/ontology/construct/MolecularEntityRole

Defined In: https://spec.industrialontologies.org/ontology/biopharma/MolecularEntity/

SubClass Of: bfo:role

Class Hierarchy

owl:Thing › bfo:entity › bfo:continuant › bfo:specifically dependent continuant › bfo:realizable entity › bfo:role › molecular entity role

Direct subclasses:

• antimicrobial agent role
• antioxidant role
• chelating agent role
• enzyme cofactor role
• lipid precursor role
• molecular activity regulator role
• molecular indicator role
• molecular messenger role
• molecular toxin role
• trace element role
• vitamin role

Definition

role of a molecular entity that reflects a chemical or biochemical behavior it may exhibit under specified conditions

Explanatory Notes

This role represents context-dependent behaviors of molecules, such as binding, catalysis, inhibition, or signaling. The specified conditions may include factors such as sufficient concentration, presence of a binding partner, enzyme, receptor, substrate, cofactor, or competing molecule, as well as relevant pH, temperature, solvent, compartment, or process environment. The same molecular entity may bear different molecular entity roles in different chemical or biological contexts. This class corresponds to the use of “role” in ChEBI and is used to describe realizable molecular behaviors in chemical or biological environments.

Examples

• Role held by ethylenediaminetetraacetic acid (EDTA) acting as a chelating agent in buffers to remove trace metal ions; Role held by vitamin C acting as an antioxidant in media or formulations to prevent oxidation of sensitive components

Adapted From

• http://purl.obolibrary.org/obo/CHEBI_50906

Primitive Class

This class is declared primitive and it does not have necessary and sufficient condiftions defined.

Primitive Rationale

There are insufficient constructs to create a set of necessary and sufficient conditions

Formal Axioms

First-Order Logic Axioms

MolecularEntityRole(x) → Role(x) ∧ ∃y (roleOf(x, y) ∧ MolecularEntity(y))

Semi-Formal Natural Language Axioms

if x is a ‘molecular entity role’ then x is a ‘role’ and x is a ‘role of’ some ‘molecular entity’

Description Logic

constr:MolecularEntityRole ⊑ bfo:role

constr:MolecularEntityRole ⊑ ∃ constr:roleOf .constr:MolecularEntity

SubClassOf: bfo:role

SubClassOf: constr:roleOf some constr:MolecularEntity