1-Nitro-2-Phenylethane as a Multitarget Candidate for Cognitive and Psychiatric Disorders: Insights from In Silico
Emily Christie Maia Fonseca1, Lucas Villar Pedrosa da Silva Pantoja1,2, Daniele Luz de Campos3
1Programa de Pós-Graduação em Farmacologia e Bioquímica, Universidade Federal do Pará, Belém 66075-900, PA, Brazil.
1-nitro-2-phenylethane (1N2PE) shows promise for neurological and psychiatric disorders. This natural compound improved memory, reduced anxiety, and demonstrated antidepressant-like effects in preclinical studies.
Area of Science:
- Neuropharmacology
- Natural Products Chemistry
Background:
- Neurological and psychiatric disorders share common pathways like oxidative stress and neuroinflammation.
- Multitarget natural compounds are investigated for therapeutic potential.
- 1-nitro-2-phenylethane (1N2PE), from Aniba canelilla, has known antioxidant and anti-inflammatory effects but limited neuropharmacological data.
Purpose of the Study:
- To characterize the neuropharmacological profile of 1N2PE.
- To evaluate its potential for treating cognitive and psychiatric disorders.
Main Methods:
- In silico pharmacokinetic predictions and molecular docking.
- In vivo behavioral assays using a scopolamine-induced impairment model.
- Assessment of spatial memory, cognition, and mood-related behaviors.
Main Results:
- 1N2PE exhibited favorable drug-like properties, including good absorption and blood-brain barrier penetration.
- Molecular docking revealed stable interactions with key targets: dopamine transporter (DAT), prostaglandin-H synthase-1 (PGHS-1), serotonin transporter (SERT), and acetylcholinesterase (AChE).
- In vivo, 1N2PE significantly improved spatial memory, reduced immobility (antidepressant-like effect), and attenuated anxiety-like behaviors.
Conclusions:
- 1N2PE is a multitarget natural compound with promising preclinical efficacy for cognitive and psychiatric disorders.
- Its favorable pharmacokinetics and demonstrated in vivo effects support further investigation.
- 1N2PE warrants advanced biochemical and translational studies for therapeutic development.
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