Document Type : Research Articles
Authors
1
Faculty of Medicine, University of Pristina, BB Anri Dinana 38220, Kosovska Mitrovica, Serbia.
2
Faculty of Pharmacy, Trg mladenaca 5, Novi Sad 21000, Serbia.
3
Alma Mater Europaea (AMEU-ECM); Slovenska Ulica/Street 17, Maribor, 2000, Slovenia.
4
Worldwide Consultancy and Services, Division of Advanced Research and Development, Via Andrea Ferrara 45 - 00165 Rome, Italy.
5
Capri Campus Forensic and Security, Division of Environmental Medicine and Security, Via G. Orlandi 91 Anacapri 80071 Capri Island, Naples, Italy.
6
Belgrade University, School of Medicine, dr Subotića starijeg 8, 11000, Belgrade, Serbia.
7
Clinic for Obstetrics and Gynecology, Kraljice Natalije 62, 11000, Belgrade, Serbia.
8
Guard plus doo, Nemanjina 40, 11000 Belgrade Serbia.
9
BDORT Center for Functional Supplementation and Integrative Medicine, Bulevar Oslobodjenja 2, 11000, Belgrade, Serbia.
Abstract
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.
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