ZCZ011 Modulation of CB1 Receptor: In Vitro Pharmacology and Molecular Dynamics Data

Research data supporting a study on the allosteric modulation of the cannabinoid type 1 receptor (CB1R) by compound ZCZ011. The dataset includes results from in vitro studies using primary neuronal and microglial cultures, as well as molecular modeling and dynamics simulations of enantiomers (R)-ZCZ011 and (S)-ZCZ011. It was authored by Yadav-Samudrala, Barkha and harvested by ODUM Dataverse.

Use Cases

• Modeling cannabinoid receptor allosteric binding sites based on molecular dynamics simulation results.
• Analyzing dose-dependent neuroprotective effects against HIV Tat-induced excitotoxicity based on in vitro pharmacology data.
• Comparing the functional profiles of enantiomers (R)-ZCZ011 and (S)-ZCZ011 based on described binding interactions.
• Investigating the dual PAM/agonist mechanism of (R)-ZCZ011 referenced in the study conclusions.

Strengths

• Data is directly linked to a peer-reviewed publication (DOI: 10.1021/acsbiomedchemau.5c00169).
• Integrates two distinct experimental approaches: in vitro pharmacology and computational molecular dynamics.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• Description metadata is limited; actual data quality requires manual inspection after download.

Provenance

Source

ODUM Harvested Dataverse

Collection Method

In vitro experiments and computational simulations conducted as part of the referenced research study.

Freshness

Last updated 2026-05-11 03:10:14; freshness should be verified.