The study employs density functional theory (DFT) to examine the drug-loading efficiency of graphyne (GYN) as a vehicle for the Tioguanine (TG) drug. The researchers analyzed the interaction energy, electrical properties of pure GYN, TG molecules, and TG@GYN complex to determine their effectiveness as a carrier. Configuration a, which utilized nitrogen and sulfur atoms in interactions, was deemed the most suitable among the three considered TG sites. Gas-phase interaction between TG drug and GYN resulted in an energy of adsorption about -1.64 eV. The study utilized non-covalent interaction (NCI) analysis to assess the interaction between GYN and TG drug, indicating weak forces of interaction in the TG@GYN complex. The HOMO-LUMO and charge-decomposition analysis described the transfer of charge from TG molecules to pure GYN during formation of TG@GYN. The results suggest that GYN could function as a promising candidate for carrying and delivering TG drug, leading to further research into similar 2D nanomaterials for drug transport applications.
Lung cancer ranks among the most lethal types of cancer globally, with a high occurrence and fatality rate. The spread of cancer to other parts of the body, known as metastasis, is the primary cause of treatment failure and death in lung cancer cases. Current approaches for treating advanced lung cancer typically involve a combination of chemotherapy and targeted therapy. However, the majority of patients ultimately develop resistance to these treatments, leading to a worsened prognosis. In recent years, cancer biology research has predominantly focused on the role of protein-encoding genes in cancer development. Long non-coding RNAs (lncRNAs) are transcripts over 200 nucleotides in length that do not encode proteins but are crucial RNA molecules involved in numerous biological functions. While many functions of lncRNAs remain unknown, some have been linked to human diseases, including cancer. Studies have demonstrated that lncRNAs interact with other large molecules in the cell, such as proteins, DNA, and RNA, influencing various critical aspects of cancer. LncRNAs play a significant role in regulating gene expression and have a crucial function in the transcriptional regulation of cancer cells. They mediate various biological and clinical processes such as invasion, metastasis, apoptosis, and cell proliferation. Dysregulation of lncRNAs has been found to impact the process of carcinogenesis through advanced technologies like RNA sequencing and microarrays. Collectively, these long non-coding RNAs hold promise as potential biomarkers and therapeutic targets for human cancers. In this segment, we provide a comprehensive summary of the literature on the characteristics and formation of lncRNAs, along with an overview of their current known roles in lung cancer.