Ixodes ricinus and Hyalomma excavatum are two widely dispersed vectors of pathogens, including those that cause Lyme disease and Crimean–Congo haemorrhagic fever in the human population. Recently developed, plant‐derived, mosquito‐repellent blends have shown promise against other vector clades, and this study assesses these blends as potential tick repellents. Blends of (+)‐borneol, bornyl acetate, eugenol, isoeugenol and camphor were assessed in two formats: blends 3 and 4. Ticks were assessed using the moving object bioassay ( Ixodes ) or a dual‐choice behavioural assay ( Hyalomma ). Both blends were compared against negative controls and four commercially available synthetic repellents: N , N ‐diethyl‐3‐methylbenzamide (DEET), 2‐(2‐hydroxyethyl)‐1‐methylpropylstyrene 1‐piperidine carboxylate) (Picaridin), 3‐( N ‐ n ‐butyl‐ N ‐acetyl)‐amino‐propionic acid ethyl ester (IR3535) and p ‐menthane‐3,8‐diol (PMD). Results demonstrate the efficacies of blends 3 and 4; moreover, both were more effective than the commercial repellents ( P < 0.05). Blend 3 was marginally more effective than blend 4, and differences in the repellent action were noted for each of the tick species, suggesting broad‐spectrum vector‐repellent activities, irrespective of life strategy. Overall, this work demonstrates the clear potential of blends 3 and 4 as tick repellents that offer an improved vector response over currently available commercial repellents. Furthermore, that the same repellent blends are capable of tick repellency in addition to mosquito repellency, offers the potential for widely dispersed usage across a range of integrated vector management strategies. © 2025 The Author(s). Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.

2026-01-01·Molecular Biology Research Communications

Integrative computational approach to farnesyltransferase inhibition toward anti-liver cancer drug candidate from Syzygium cumini essential oils.

Article

作者: Widiastuti, Diana ; Sustiprijatno ; Heikal, Muhammad Fikri ; Isnanto, Hary ; Hidayatullah, Arief ; Putra, Wira Eka

Farnesyltransferase plays a critical role in the post-translational modification of mammalian proteins, including the Ras oncogene, which is strongly associated with cancer development. Essential oils from Syzygium cumini have demonstrated promising therapeutic effects, particularly in cancer treatment, potentially through the inhibition of farnesyltransferase activity. This study employed integrative computational approaches to investigate the anticancer potential of essential oils derived from S. cumini. Various compounds were screened for toxicity, biological activities, membrane permeability, gene expression profiles, and survival correlations were conducted to investigate cancer-associated properties. Molecular docking and molecular dynamics (MD) simulations were performed to evaluate the binding interactions and stability of ligand-protein complexes involving farnesyltransferase. α-Humulene epoxide II exhibited antineoplastic activity, functioned as an apoptosis agonist, and inhibited cancer-related targets such as HIF1A and MMP9. Bornyl acetate showed potential as a JAK2 inhibitor. Both compounds demonstrated favorable membrane permeability, indicating high bioavailability and effective cellular uptake. Analysis of the farnesyltransferase (FNTB) gene revealed significantly higher expression in cancerous tissues and a positive correlation with pro-tumor immune cell infiltration. Molecular docking identified Tipifarnib as the strongest binder, serving as a positive control, while α-humulene epoxide II and bornyl acetate showed moderate to weaker binding affinities. However, MD simulations confirmed that both essential oil compounds exhibit binding stability comparable to that of Tipifarnib. Finally, α-humulene epoxide II and bornyl acetate from S. cumini exhibit favorable drug-like properties, high predicted safety margins, and a lack of organ-specific toxicity, underscoring their suitability for further drug development.

2026-01-01·BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Revealing the anti-tumor mechanisms of aromatic oil from Amomum villosum through integrated network pharmacology, bioinformatics, machine learning, single-cell sequencing, and cell experiments

Article

作者: Mei, Ying ; Wei, Yunyao ; Han, Shuwen ; Yan, Qiang ; Yu, Kuai ; Deng, Kai

The dry fruits of Amomum villosum (Av) are a traditional Chinese medicine used for gastrointestinal disease. Aromatic oil has been reported to have anti-tumor properties. However, its therapeutic potential and molecular mechanisms remain unclear. Integrated approaches of response surface design, gas chromatography-mass spectrum-driven network pharmacology analysis, transcriptomics, machine learning, clinic correlation analysis, single-cell sequencing, molecular docking, and dynamics simulation to characterize bioactive compounds in Av and further uncover their potential mechanisms against gastric cancer. The extraction process of aromatic oil was optimized using Box-Behnken design, and the optimal yield of 2.85 % was achieved under the conditions of extraction time of 6.5 h, solution ratio of 16 mL/g, and mesh size of 30. Subsequently, 28 compounds were identified from aromatic oils using the NIST 14 database. Survival curves indicated that the intersection of compound targets and cancer targets was highly correlated with gastric cancer (GC). Machine learning algorithms screened out HMOX1 as the key target from the public dataset and validated the clinic relevance. Single-cell sequencing indicated that HMOX1 might be a crucial immune regulator for myeloid cells. In vitro cell experiments showed that both aromatic oil and its primary compound, bornyl acetate, significantly suppressed HGC27 and AGS cell proliferation and migration, while downregulating HMOX1; bornyl acetate exhibited superior efficacy. Finally, molecular docking and dynamics showed that bornyl acetate had good binding affinity with HMOX1. Aromatic oil and bornyl acetate exert anti-gastric cancer effects via HMOX1, which provides a molecular basis for developing Av-derived therapy in GC therapy.

100 项与 Bornyl acetate 相关的药物交易

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