Momir Dunjic, Stefano Turini, Lazar Nejkovic, Aleksandra Pikula, Nenad Sulovic, Sasa Cvetkovic, Marija Dunjic, Katarina Dunjic
{"title":"探索一种用于增强免疫力和治疗宫颈癌的新型油混合疗法的潜力。","authors":"Momir Dunjic, Stefano Turini, Lazar Nejkovic, Aleksandra Pikula, Nenad Sulovic, Sasa Cvetkovic, Marija Dunjic, Katarina Dunjic","doi":"10.31557/APJCP.2025.26.6.2129","DOIUrl":null,"url":null,"abstract":"<p><strong>Objective: </strong>To evaluate the therapeutic potential of a novel vegetable oil blend containing natural bioactive compounds for the treatment of cervical carcinoma through in silico molecular docking analysis.</p><p><strong>Methods: </strong>Natural compounds were extracted from cold-pressed pumpkin oil (Curcubita maxima), horsetail oil (Equisetum arvense), and etheric clove oil (Syzygium aromaticum). Major phytochemicals quercetin 3-O-glucoside, γ-tocopherol, apigenin 5-O-glucoside, β-caryophyllene, kaempferol 3-O-glycoside, and EGCG were identified and standardized via HPLC. Molecular docking was performed using 1-Click Docking software to assess binding affinities against cervical carcinoma-associated targets (p16INK4a, Ki-67, VEGF, CEA, MMP-9, TP53, and pRb). Docking scores were expressed as Gibbs free energy (ΔG, Kcal/mol). Comparative analyses were conducted versus conventional agents (Paclitaxel, Pembrolizumab, Temsirolimus). AI-assisted optimization using ChatGPT-4o integrated molecular interaction data from over 10,000 peer-reviewed studies.</p><p><strong>Results: </strong>Apigenin 5-O-glucoside showed the strongest interaction with MMP-9 (-11.6 Kcal/mol) and CEA (-9.4 Kcal/mol). Quercetin 3-O-glucoside exhibited high affinity for TP53 (-8.1 Kcal/mol), Ki-67 (-9.1 Kcal/mol), and VEGF (-8.7 Kcal/mol). Natural compounds consistently outperformed standard chemotherapeutics, e.g., Paclitaxel with p16INK4a (-5.4 Kcal/mol) vs. apigenin 5-O-glucoside (-8.9 Kcal/mol). These results suggest robust multi-targeted anticancer potential, including inhibition of proliferation, angiogenesis, and metastasis, along with apoptosis induction.</p><p><strong>Conclusion: </strong>Natural compounds derived from a novel vegetable oil blend demonstrate promising molecular interactions with key biomarkers of cervical carcinoma. These findings support their potential role as effective therapeutic agents and warrant further in vitro and in vivo validation.</p>","PeriodicalId":55451,"journal":{"name":"Asian Pacific Journal of Cancer Prevention","volume":"26 6","pages":"2129-2136"},"PeriodicalIF":0.0000,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Exploring the Potential of a Novel Oil Blend Therapy for Immunity Enhancement and Cervical Carcinoma Treatment.\",\"authors\":\"Momir Dunjic, Stefano Turini, Lazar Nejkovic, Aleksandra Pikula, Nenad Sulovic, Sasa Cvetkovic, Marija Dunjic, Katarina Dunjic\",\"doi\":\"10.31557/APJCP.2025.26.6.2129\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><strong>Objective: </strong>To evaluate the therapeutic potential of a novel vegetable oil blend containing natural bioactive compounds for the treatment of cervical carcinoma through in silico molecular docking analysis.</p><p><strong>Methods: </strong>Natural compounds were extracted from cold-pressed pumpkin oil (Curcubita maxima), horsetail oil (Equisetum arvense), and etheric clove oil (Syzygium aromaticum). Major phytochemicals quercetin 3-O-glucoside, γ-tocopherol, apigenin 5-O-glucoside, β-caryophyllene, kaempferol 3-O-glycoside, and EGCG were identified and standardized via HPLC. Molecular docking was performed using 1-Click Docking software to assess binding affinities against cervical carcinoma-associated targets (p16INK4a, Ki-67, VEGF, CEA, MMP-9, TP53, and pRb). Docking scores were expressed as Gibbs free energy (ΔG, Kcal/mol). Comparative analyses were conducted versus conventional agents (Paclitaxel, Pembrolizumab, Temsirolimus). AI-assisted optimization using ChatGPT-4o integrated molecular interaction data from over 10,000 peer-reviewed studies.</p><p><strong>Results: </strong>Apigenin 5-O-glucoside showed the strongest interaction with MMP-9 (-11.6 Kcal/mol) and CEA (-9.4 Kcal/mol). Quercetin 3-O-glucoside exhibited high affinity for TP53 (-8.1 Kcal/mol), Ki-67 (-9.1 Kcal/mol), and VEGF (-8.7 Kcal/mol). 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引用次数: 0
摘要
目的:通过分子对接分析,评价一种含有天然生物活性化合物的新型植物油混合物治疗宫颈癌的潜力。方法:从冷榨南瓜油(Curcubita maxima)、马尾油(Equisetum arvense)和乙醚丁香油(Syzygium aromaticum)中提取天然化合物。主要植物化学物质槲皮素3- o -葡萄糖苷、γ-生育酚、芹菜素5- o -葡萄糖苷、β-石竹烯、山奈酚3- o -糖苷和EGCG经HPLC鉴定并标准化。使用1-Click对接软件进行分子对接,评估与宫颈癌相关靶点(p16INK4a、Ki-67、VEGF、CEA、MMP-9、TP53和pRb)的结合亲和力。对接分数用吉布斯自由能表示(ΔG, Kcal/mol)。与传统药物(紫杉醇、派姆单抗、替西莫司)进行了比较分析。人工智能辅助优化使用chatgpt - 40集成了来自10,000多个同行评审研究的分子相互作用数据。结果:芹菜素5- o -葡萄糖苷与MMP-9 (-11.6 Kcal/mol)和CEA (-9.4 Kcal/mol)的相互作用最强。槲皮素3- o -葡萄糖苷对TP53 (-8.1 Kcal/mol)、Ki-67 (-9.1 Kcal/mol)和VEGF (-8.7 Kcal/mol)具有高亲和力。天然化合物始终优于标准化疗药物,例如,紫杉醇与p16INK4a (-5.4 Kcal/mol)优于芹菜素5- o -葡萄糖苷(-8.9 Kcal/mol)。这些结果表明了强大的多靶点抗癌潜力,包括抑制增殖、血管生成和转移,以及诱导细胞凋亡。结论:从一种新型植物油混合物中提取的天然化合物与宫颈癌的关键生物标志物具有良好的分子相互作用。这些发现支持了它们作为有效治疗药物的潜在作用,并需要进一步的体外和体内验证。
Exploring the Potential of a Novel Oil Blend Therapy for Immunity Enhancement and Cervical Carcinoma Treatment.
Objective: To evaluate the therapeutic potential of a novel vegetable oil blend containing natural bioactive compounds for the treatment of cervical carcinoma through in silico molecular docking analysis.
Methods: Natural compounds were extracted from cold-pressed pumpkin oil (Curcubita maxima), horsetail oil (Equisetum arvense), and etheric clove oil (Syzygium aromaticum). Major phytochemicals quercetin 3-O-glucoside, γ-tocopherol, apigenin 5-O-glucoside, β-caryophyllene, kaempferol 3-O-glycoside, and EGCG were identified and standardized via HPLC. Molecular docking was performed using 1-Click Docking software to assess binding affinities against cervical carcinoma-associated targets (p16INK4a, Ki-67, VEGF, CEA, MMP-9, TP53, and pRb). Docking scores were expressed as Gibbs free energy (ΔG, Kcal/mol). Comparative analyses were conducted versus conventional agents (Paclitaxel, Pembrolizumab, Temsirolimus). AI-assisted optimization using ChatGPT-4o integrated molecular interaction data from over 10,000 peer-reviewed studies.
Results: Apigenin 5-O-glucoside showed the strongest interaction with MMP-9 (-11.6 Kcal/mol) and CEA (-9.4 Kcal/mol). Quercetin 3-O-glucoside exhibited high affinity for TP53 (-8.1 Kcal/mol), Ki-67 (-9.1 Kcal/mol), and VEGF (-8.7 Kcal/mol). Natural compounds consistently outperformed standard chemotherapeutics, e.g., Paclitaxel with p16INK4a (-5.4 Kcal/mol) vs. apigenin 5-O-glucoside (-8.9 Kcal/mol). These results suggest robust multi-targeted anticancer potential, including inhibition of proliferation, angiogenesis, and metastasis, along with apoptosis induction.
Conclusion: Natural compounds derived from a novel vegetable oil blend demonstrate promising molecular interactions with key biomarkers of cervical carcinoma. These findings support their potential role as effective therapeutic agents and warrant further in vitro and in vivo validation.
期刊介绍:
Cancer is a very complex disease. While many aspects of carcinoge-nesis and oncogenesis are known, cancer control and prevention at the community level is however still in its infancy. Much more work needs to be done and many more steps need to be taken before effective strategies are developed. The multidisciplinary approaches and efforts to understand and control cancer in an effective and efficient manner, require highly trained scientists in all branches of the cancer sciences, from cellular and molecular aspects to patient care and palliation.
The Asia Pacific Organization for Cancer Prevention (APOCP) and its official publication, the Asia Pacific Journal of Cancer Prevention (APJCP), have served the community of cancer scientists very well and intends to continue to serve in this capacity to the best of its abilities. One of the objectives of the APOCP is to provide all relevant and current scientific information on the whole spectrum of cancer sciences. They aim to do this by providing a forum for communication and propagation of original and innovative research findings that have relevance to understanding the etiology, progression, treatment, and survival of patients, through their journal. The APJCP with its distinguished, diverse, and Asia-wide team of editors, reviewers, and readers, ensure the highest standards of research communication within the cancer sciences community across Asia as well as globally.
The APJCP publishes original research results under the following categories:
-Epidemiology, detection and screening.
-Cellular research and bio-markers.
-Identification of bio-targets and agents with novel mechanisms of action.
-Optimal clinical use of existing anti-cancer agents, including combination therapies.
-Radiation and surgery.
-Palliative care.
-Patient adherence, quality of life, satisfaction.
-Health economic evaluations.