Computational Study on Antheraea assamensis Helfer Metabolites: Targeting FGFR, EGFR, mTOR, and VEGFR1 for Cancer Therapy

Aim: Cancer, characterized by uncontrolled cell growth, poses global health challenges, while natural bioactive compounds offer a cost-effective and less toxic alternative by targeting cancer pathways. This current study aims to identify potential bioactive compounds from silk warm pupa and screen their bioactivity against various cancers through in-silico approaches. Background: Cancer, a disease with substantial worldwide health consequences, is driven by the uncontrolled division and spread of cells. A combination of genetics, environmental factors, and personal lifestyle choices influences its development. Cancer remains a significant global health challenge, driving the need for new therapeutic compounds. Antheraea assamensis Helfer, an edible insect, contains bioactive compounds that may provide a natural approach to reducing cancer progression through dietary intake. Rich in proteins, fatty acids, and bioactive compounds, this insect shows promise in its anti-inflammatory and antioxidant properties. Objective: Currently, available cancer medications are often associated with a range of side effects. Plant-derived compounds present a promising alternative for cancer treatment, offering the potential for fewer side effects. This research aims to identify the most effective bioactive lead molecule for future drug development in the fight against various types of cancer. Methods: To evaluate the therapeutic potential of metabolites from Antheraea assamensis Helfer, various in-silico techniques were used. Molecular docking analysis were conducted to assess the binding affinity and stability of the compounds with cancer-related targets such as EGFR, FGFR, VEGFR1, and mTOR, revealing their inhibitory potential. ADMET analysis predicted the pharmacokinetic properties, including absorption, toxicity, and drug-likeness. In contrast, QSAR analysis forecasted the biological activity of the compounds, helping to quantify their effectiveness in triggering specific biological responses. Results: The molecular docking studies showed promising results, with several bioactive compounds from Antheraea assamensis Helfer exhibiting strong binding affinities to EGFR, FGFR, VEGFR1, and mTOR, suggesting significant inhibitory potential against these cancer-related targets. ADMET analysis further supported these findings by indicating favorable pharmacokinetic properties, such as good absorption, low toxicity, and minimal risk of side effects. QSAR analysis predicted high biological activity for the compounds, reinforcing their potential as effective anticancer agents. Conclusion: The study identifies Antheraea assamensis Helfer as a significant source of bioactive agents like 2-(Dimethylamino) ethyl (9Z,12Z)-octadeca-9,12-dienoate, Echinulin, and Phorbol 12-tiglate 13-decanoate, with promising anticancer activity. In-silico analysis indicates these compounds could inhibit key cancer-related targets like EGFR, FGFR, VEGFR1, and mTOR. Further in-vitro and experimental studies are needed to validate their therapeutic efficacy and safety.