## 4 Discussion  
Secondary metabolites found in plants are promising research materials for drug discovery. A growing number of people are interested in phytochemical research as an alternative to the high cost and risk associated with conventional pharmaceuticals. Inhibition of non-small cell lung cancer with plant secondary metabolites has been widely reported [41; 42; 43; 44]. The primary goal of this computational modeling study was to identify the key drug targets of non-small cell lung cancer and the phytochemicals from _Allium tuberosum_ with the greatest potential to inhibit the disease. The plant _Allium tuberosum_ (Chinese Chives) is little known as compared to the other species present in the same genus, namely _Allium sativum_ (Garlic) and _Allium cepa_ (Onion). Many impactful works have already been performed in recent years [45]. The phytochemicals present in petroleum ether, ethyl acetate, acetone, and methanolic extracts were tested in a mouse model for bioactivity; those extracts were found to be anticancer agents, suppressing tumor development by triggering apoptosis [16]. The crude extract has been reported to be utilized to cure notable human disorders in the brain, eyes, lungs, liver, gastrointestinal tract, kidney, and other parts of the body [46]. However, for thorough lightening up of the functions, pathways, and the systematic mechanism for healing tumor growth, more in-depth accumulation of information, identification of phytoconstituents, and structure elucidation is required [47]. Identifying effective inhibitors and specific new phytochemicals that correctly regulate the malignant activity pathway would undoubtedly be a beneficial alternative to cancer treatment [48; 49; 50]. The plant extract of _Allium tuberosum_ has been found to possess cytotoxic activity in many experiments with mice by various researchers [51; 52; 53]. Numerous compounds are believed to have potential bioactivity, identified from the plant parts that may be optimized to become a significant lead molecule against the target for NSCLC [54]. The GC-MS and LC-MS-based metabolite profiling of the methanolic extract of _A. tuberosum_ leaves revealed the presence of 94 bioactive phytochemicals. Very little work has been reported with the compounds present in this plant. Two compounds, S-methyl 2-propene-1-thiosulfinate and S-methyl methanethiosulfonate, from these plants have been reported as anticancer potentials; they are capable of inducing apoptosis in breast cancer cell line MCF-7 [16]. These two compounds, also reported by [PERSON] et al., show antibacterial activity [55]. Another study by [PERSON] et al. reported the anti-prostate cancer activity of the compound thiosulfinate from the same plant [56]. Thiosulfinate also induces apoptosis in human colon cancer cell line HT-29, studied by [PERSON] et al. [57]. Much work has yet to be carried out, and metabolic profiling of the plant extract may reveal the possession of many compounds showing effectiveness against cancer [58; 59; 60]. There are wide varieties of stimuli that could cause a normal cell to transform into a malignant one. When a cell's apoptosis process is blocked for some mechanism, the cell becomes immortal and may convert into a cancerous one. Apoptosis is an essential feature of normal cells by which aged and damaged cells proceed toward self-degradation [61]. Antiapoptotic activity in NSCLC is mediated by PI3K [62] and K-Ras [63]. In addition to its role in cell proliferation, K-Ras dysfunction is thought to contribute to the development of nearly 15% to 20% of cases of non-small cell lung cancer [64]. The growth factors B-Raf and EGFR are also to blame [64]. Blocking any of the aforementioned targets can result in the remission of NSCLC as some of the previous studies have validated [65; 66; 67; 68; 69; 70]. Protein-ligand molecular docking is an efficient and essential tool for drug discovery, particularly for determining the drug-likeness and mechanism of action of novel compounds [71].