In Silico Binding Analysis of Cannabinoids with Eph Receptors for Therapeutic Use in Gliomas.

ABSTRACT:

Background

Accumulating evidence suggests overexpression of Eph receptors is associated with malignant human gliomas. Inhibiting interactions of Eph receptors with their ephrin ligands may improve clinical outcomes in glioma patients. The present study investigated the potential of cannabinoids to bind Eph receptors and block Eph/ephrin interactions.

Methods

Twelve major cannabinoids were computationally docked with ligand binding domains from six glioma-associated Eph receptors through Auto Dock Vina to measure their potential binding affinities. The molecular structures and residue interactions of the most favorable poses for each receptor binding domain were further visually examined.

Results

Cannabichromene (CBC) exhibited the most favorable binding with EphA2, Ep

SUBMITTER: Batchu S 

PROVIDER: S-EPMC9717618 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature