ArticleFrontiers in pharmacology2025
Identification of novel amides and alkaloids as putative inhibitors of dopamine transporter for schizophrenia using computer-aided virtual screening.
Article in Frontiers in pharmacology, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- Cheminformatics-driven discovery of natural isoquinoline alkaloid inhibitors of Beta-secretase I for Alzheimer's management.PloS one · 2026Article
- Inhibition Profiling ofMolecules (Basel, Switzerland) · 2025Article
- Citronellol silver nanoconjugates as a therapeutic strategy for glioblastoma through computational and experimental evaluation.Scientific reports · 2025Article
- Identification and evaluation of pyrimidine based CDK6 inhibitors against glioblastoma using integrated computational approaches.Scientific reports · 2025Article
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9 authors.
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Abstract
Schizophrenia is a complex psychiatric disorder marked by delusions, memory impairments, hallucinations, disorganized behavior, and severe cognitive deficits. Targeting the dopamine transporter (DAT) protein is promising for treating cognitive symptoms, especially in patients resistant to antipsychotic treatments. In this study, phytochemicals from six medicinal plants underwent virtual screening, and molecular dynamics simulation to identify potential agents targeting DAT. Key drug-like properties, safety, and biological activity were evaluated for identified hits. Pharmacokinetic simulation and pharmacophoric analysis were also performed. Among 990 screened phytochemicals, three alkaloids and six amides, predominantly from
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