Pancreatic cancer is a deadly type of cancer that is characterized by its high death rate, quick onset, and poor prognosis [1]. Due to the pancreas' abundant blood flow and lack of a capsule, cancer cells readily spread to the lymph nodes around it and, in its initial stages, penetrate tissues and organs, including the liver and lungs [2]. It can be difficult to detect pancreatic cancer promptly. The five-year survival percentage is below ten, and many patients get diagnosed with distant or lymph node metastases in their middle to late phases [3]. Furthermore, pathogenic processes that involve dissociation from the initial lesion, evasion of immune surveillance, and persistent development by lymphatic and blood channel-related migration are mostly related to the development and progression of PC [4]. The 3rd leading cause of mortality caused by cancer in the United States is pancreatic cancer (PC), surpassing breast cancer [5]. The Surveillance, Epidemiology, and End Results Program (SEER) reports that 47,050 people died and around 57,600 new cases were detected in 2020 [6]. Obesity, type-2 diabetes, using tobacco products, and family history are associated with a threat of the disease [7]. Around the world, PC is a significant and growing public health burden [8]. In 2018, 432,242 fatalities worldwide were attributed to pancreatic cancer. [9]. Based on recent reports, the National Cancer Institute (NCI) estimates that 51,980 Americans are expected to lose their lives to pancreatic cancer in 2025, while 67,440 will be diagnosed with the cancer [10]. Deoxythymidylate kinase (DTYMK) is an enzyme vital for controlling nucleoside thymidine synthesis [11]. It also controls the production of deoxythymidine triphosphate (dTTP), affecting nucleotide metabolism, DNA synthesis, and replication. It also plays a role in the first phase of the de novo and rescue pathways, resulting in dTTP [12]. According to a study, which states that DTYMK plays a vital part in developing the nervous system during embryonic life [13]. Children with DTYMK biallelic variations are at risk for severe early-onset neurological conditions, which may show up as brain atrophy, growth retardation, microcephaly, defective fibroblast DNA replication, and decreased brain cell proliferation [12]. Research has additionally shown that DTYMK might directly affect how cancer grows and spreads [14]. The DTYMK expression regulates cell movement, proliferation, and the cell cycle and is associated with immune infiltration [15].

The severe clinical course, the deeply connected site of the pancreas, the complexity of taking a tissue sample, the lack of suitable screening and tests, and the poor response to chemotherapy or radiation therapy are the primary causes of the relatively low treatment success rate [16]. These tumors make up the vast majority of pancreatic cancers, whereas endocrine tumors and, more rarely, pancreatic exocrine malignancies are slower-growing forms [17]. The long-term prognosis for those with pancreatic cancer is not excellent, because current treatments include surgery, chemotherapy, radiation, targeted therapy, and developing immunotherapy [18]. Consequently, the most important thing is to keep investigating the pathogenesis and development of pancreatic cancer and seeking new therapy targets [19]. Lack of early detection methods, complicated biological aspects, limited therapy options, and late clinical presentation alongside subtle symptoms constitute some of the main causes of poor PC outcomes [20]. Cytotoxic therapy is the fundamental component of PC treatment, and while advancements in recent years have benefited survival, it only produces a slight, gradual improvement [21]. De novo and early development of resistance are common characteristics of treatment. PC frequently appears as cachexia, which worsens treatment resistance [22].

Bioinformatics is vital for numerous areas of pharmacology, drug metabolism, and the development of drugs [23]. Identifying drug-target interactions, improving lead compounds, and pinpointing targets are all made simpler by bioinformatics' ability to quickly analyze as well as comprehend vast amounts of biological data [24]. It enables the use of proteomic and genomic probes to identify and characterize possible therapeutic targets [25]. Bioinformatics is also useful in the prediction of pharmacokinetic and drug metabolism features, providing information about the efficacy and safety of possible pharmaceutical options [26]. By facilitating the examination of adverse drug responses, drug-drug interactions, as well as personalized medicine techniques, it also improves pharmacology [27]. Drug discovery has become more rapid, success rates have risen, and costs have dropped as a result of the combination of computational methods and algorithms [28]. A vital instrument for developing novel therapies and optimizing the safety and effectiveness of drugs is bioinformatics [29]. As per the findings by Blomstrand et al., 2023s, the five-year survival rate for pancreatic cancer is less than 10 %, making it one of the most lethal cancers. This is mostly due to the disease's rapid spread, resistance to traditional therapies, and delayed diagnosis. To improve the effectiveness of treatment, it is essential to investigate new molecular targets. The current study mainly focuses on how DTYMK expression affects the likelihood of survival of patients with pancreatic cancer. Using bioinformatics, we identified novel DTMYK inhibitors by using different computer-aided techniques such as molecular docking and molecular dynamics simulations. These findings will be useful in directing innovative pancreatic cancer therapy strategies in clinical settings.