Brain and nerve cancer is the tenth inflated conviction of men and women's mortality is brain and nerve cancer [1,2]. Glioblastoma multiform (GBM) is adults' most common primary brain tumor (accounting for 65% of primary brain tumors) and the most aggressive and incurable central nervous system malignancy [[3], [4], [5]]. Only 3–5% of patients (3–5%) survive for over three years, with the median survival span being 14 months. GBM is treated with surgical excision [6], radiation [7], and chemotherapy [8] after being identified; however, some tumors have no therapeutic options. Chemotherapy is brutal to administer when warranted because tumors are diverse and infiltrating, and therapeutic medicines cannot reach the tumor site due to the blood-brain barrier. As a result, boosting drug levels at the tumor site while decreasing drug levels in the bone marrow poses considerable difficulty for GBM treatment. In GBM treatment, nitrosoureas like carmustine, LUM, and other alkylating medications like temozolomide [9] have been used. LUM is an anti-cancer medication that is alkylating [9,10]. LUM has decreased protein translation, RNA transcription, and DNA replication in cancer cells [11]. It's used to treat a variety of malignancies [12,13], including brain tumors, lung cancer [14], relapsed or resistant Hodgkin's disease [15,16], multiple melanomas, lymphomas, and solid tumors. The dose-limiting toxicities such as myelosuppression have limited LUM efficiency [17,18]. As a result, techniques to improve chemotherapeutic drug localization to the brain tumor site are required. A dosage intensification plan would be one technique to achieve high brain concentrations by increasing the drug's blood concentration. We hypothesize that nanoparticles might allow high drug concentrations [19,20] to be supplied in the case of a lipophilic agent, allowing for high blood concentrations and hence high brain tumor levels of these treatments without delivering large doses to the bone marrow.

Bio-nanomaterials advancements are cutting-edge research by scientists striving for effective medication delivery solutions [21]. During the last several years, the advent of engineered nanomaterials in medical applications has brought a paradigm change in therapeutic research fields [22], including diagnostics, bio sensing, and medication-targeted delivery. Nanotechnology has revolutionized medicine by allowing drugs to be delivered to specific disease-centered cells using nanostructures. Nanostructures smaller in size facilitate cross barriers such as biological membranes providing the drug's target delivery and extending the drug's lifespan in the body. These nanostructures are constructed preferentially to engage with sick cells [23] (Tumor cells) and enable immediate cell treatment, reducing the drug's harmful effects on healthy human organs, tissues, and cells. Drug-delivery systems deliver a regulated quantity of medicines to the appropriate target areas [24], which improves the pharmacological effects and bioavailability of many pharmaceuticals. The targeted 1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea drug destroys malignant cells by inducing necrosis, apoptosis, and a continual retreat between identified and metastatic cancer cells.

GPH is a recently discovered member of the carbon-based allotropic materials family, possessing a range of unique characteristics. These features include excellent thermal stability, a larger surface area, adjustable electrical properties, enhanced electrical conductivity, and the ability to target cancer cells with minimal cytotoxicity. Consisting of a network of neighboring benzene rings with an acetylene group, GPH has limited application in electrical circuits. However, its unique features make it an attractive platform for drug administration. Its simplistic composition, primarily composed of carbon and hydrogen, makes it biocompatible and less toxic. GPH can be easily digested in biological systems, and its low biotoxicity and strong biocompatibility make it particularly useful in cancer treatment. GPH-based materials have shown effective potential in drug delivery systems. GPH can be utilized as a nanocarrier by loading therapeutic agents or drugs into the cavities to form a complex. These weak contacts between the drug and GPH facilitate drug desorption at the appropriate location of action. Photoinduced electron-transfer (PET) and charge-transfer (PCT) processes are fundamental in living systems because they alter phenomena’ dynamics, including fluorescence and phosphorescence. Fluorescence quenching occurs when an electron or charge from a chelator is transferred to a fluorophore. Optical and fluorescence detection of nanocarriers and pharmaceuticals is critical in the distribution of medication in a systematic manner. UV-light damages biological systems, so an electron transfer (excitation) wavelength is typically favored in the visible zone. Using DFT, we attempted to investigate the many characteristics of drug adsorption on the surface of GPH carriers. DFT was primarily used to compute the drug's interaction energy and other electronic properties and the complexes between them. We offer the following in detail to define the interaction between these nanostructures and the anti-cancer LUM drug: To evaluate the effect of temperature in the interaction between LUM and GPH nanoclusters, researchers used bonding energies and Molecular Electrostatic Potential (MEP), HOMO-LUMO orbital diagrams, time recovery for LUM drug desorption, the density of state (DOS) plots.