ArticlePloS one2025
Linalool-based silver nanoconjugates as potential therapeutics for glioblastoma: in silico and in vitro insights.
Article in PloS one, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed.
- Multi-step computational identification of small molecules targeting the TLT-1 stalk peptide: structural insights into platelet function and thrombosis.Journal of thrombosis and thrombolysis · 2026Article
- Myrtenol modulates TWEAK/TLR4-NF-κB, miR-21, PTEN, and ERK-1 expressions and improves behavioral outcomes in a rat glioblastoma model.Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
- Integrative computational approaches, molecular docking, and dynamic simulations reveal the antimycobacterial activity of fisetin as a potential inhibitor of Mycobacterium tuberculosis.Journal of computer-aided molecular design · 2026Article
- Activity of linalool based silver nanoconjugates against brain tumor through in silico, in vitro and in vivo evaluations.Scientific reports · 2026Article
- Integrated experimental and computational evaluation of Anagallis foemina derived terpenoids against carbapenem resistant Acinetobacter baumannii.Scientific reports · 2026Article
- Discovery of potent thymidine phosphorylase inhibitors from Euphorbia pulcherrima Willd. ex Klotzsch with experimental validation and computational analysis.Journal of computer-aided molecular design · 2026Article
- Molecular docking and dynamics reveal novel CDK6 inhibitors for targeted glioblastoma therapy.Scientific reports · 2026Article
- Computational screening of natural inhibitors against Plasmodium falciparum kinases: Toward novel antimalarial therapies.PloS one · 2026Article
- Linalool in cancer pharmacology: pharmacokinetic limitations and preclinical cytotoxic evidence for translational development.Frontiers in pharmacology · 2026Review
- Conceptual density functional theory in drug discovery: an overview.Journal of molecular modeling · 2025Review
- Computational design of an mRNA vaccine targeting antifungal-resistant Lomentospora prolificans.Scientific reports · 2025Article
- Computational identification of membrane proteins for vaccine design against drug-resistant Moraxella catarrhalis.Molecular genetics and genomics : MGG · 2025Article
- Correction: Linalool-based silver nanoconjugates as potential therapeutics for glioblastoma: in silico and in vitro insights.PloS one · 2025Article
Corrections and comments
- Erratum issued
Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Glioblastoma is the most predominant type of brain tumor, and resistance to medication has hampered the effectiveness of chemotherapy for gliomas. Acyclic monoterpene alcohol, linalool, has a range of pharmacological properties. The present study aimed to evaluate the impact of linalool and its nanoformulation on glioblastoma cell proliferation. DFT and ADMET analyses were used to initially assess the physiochemical characteristics of linalool and the produced silver nanoconjugates, LN@AgNPs. STRING database and Gene Expression Profiling Interactive Analysis (GEPIA) were used to narrow the 6 genes involved in glioblastoma and underwent for molecular docking study. Using AutoDock Vina 1.5.7, ligands were docked to the interaction site of selected targets. Top scored complexes PD-L1/Ligands and PTEN/ligands were simulated using molecular dynamics. The results revealed that LN@AgNPs produced a more stable complex, because metallic bonds are more robust and durable than hydrogen bonds, which give metals their distinctive strength and stability. To confirm the cytotoxicity of the compound against GBM cell line SF-767, linalool and LN@AgNPs were evaluated by in vitro study to check the expression at the IC50 concentration of top scored selected genes. The results indicated that the cytotoxic effects of linalool and LN@AgNPs were concentration dependent. In the SF-767 cancer cell line, linalool and LN@AgNPs with IC50 (33.14 µg/mL and 22.12 µg/mL respectively) values downregulated PD-L1 expression and increased PTEN expression. In conclusion phytocompounds conjugated with AgNPs increased cytotoxicity and inhibition index in glioblastoma cells. Therefore, LN@AgNPs may be a viable option for cancer treatment.
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