Current Computer - Aided Drug Design - Volume 21, Issue 1, 2025

Natural plant sources are essential in the development of several anticancer drugs, such as vincristine, vinblastine, vinorelbine, docetaxel, paclitaxel, camptothecin, etoposide, and teniposide. However, various chemotherapies fail due to adverse reactions, drug resistance, and target specificity. Researchers are now focusing on developing drugs that use natural compounds to overcome these issues. These drugs can a Read More

BackgroundDiagnosis and treatment planning play a very vital role in improving the survival of oncological patients. However, there is high variability in the shape, size, and structure of the tumor, making automatic segmentation difficult. The automatic and accurate detection and segmentation methods for brain tumors are proposed in this paper.MethodsA modified ResNet50 model was used for tumor detection, a Read More

BackgroundOsteoporosis (OP) is one of the most common diseases in the elderly population. It is mostly treated with medication, but drug research and development have the disadvantage of taking a long time and having a high cost.ObjectiveTherefore, we developed a graph neural network with the help of artificial intelligence to provide new ideas for drug research and development for OP.MethodsIn this study, we built a ne Read More

BackgroundReceptor tyrosine kinases (RTKs) are potent oncoproteins in cancer that, when mutated or overexpressed, can cause uncontrolled growth of cells, angiogenesis, and metastasis, making them significant targets for cancer treatment. Vascular endothelial growth factor receptor 2 (VEGFR2), is a tyrosine kinase receptor that is produced in endothelial cells and is the most crucial regulator of angiogenic factors involv Read More

AimsBreast cancer (BC) is by far seen as the most common malignancy globally, with 2.261 million patients newly diagnosed, accounting for 11.7% of all cancer patients, according to the Global Cancer Statistics Report (2020). The luminal A subtype accounts for at least half of all BC diagnoses. According to TCM theory, Bushen Huoxue Decoction (BSHXD) is a prescription used for cancer treatment that may influence luminal A s Read More

BackgroundNeglected tropical diseases (NTDs) are parasitic and bacterial diseases that affect approximately 149 countries, mainly the poor population without basic sanitation. Among these, Human African Trypanosomiasis (HAT), known as sleeping sickness, shows alarming data, with treatment based on suramin and pentamidine in the initial phase and melarsoprol and eflornithine in the chronic phase. Thus, to discove Read More

BackgroundSanguinarine (SAN) has been reported to have antioxidant, anti-inflammatory, and antimicrobial activities with potential for the treatment of osteoporosis (OP).ObjectiveThis work purposed to unravel the molecular mechanisms of SAN in the treatment of OP.MethodsOP-related genes and SAN-related targets were predicted from public databases. Differential expression analysis and VennDiagram were ad Read More

BackgroundUncaria tomentosa is a traditional medicinal herb renowned for its anti-inflammatory, antioxidant, and immune-enhancing properties. In the realm of neurodegenerative diseases (NDDS), CLASP proteins, responsible for regulating microtubule dynamics in neurons, have emerged as critical players. Dysregulation of CLASP proteins is associated with NDDS, such as Alzheimer's, Parkinson's, and Huntington's diseases. C Read More

BackgroundIn recent years, the incidence of rectal prolapse has increased significantly due to the sedentary lifestyle and irregular eating habits of modern life. However, there is a lack of clinical studies on the treatment of rectal prolapse with traditional Chinese medicine (TCM) with a large sample size. Therefore, this study investigated the characteristics of rectal prolapse treatment formulas and then studied the network p Read More