Different kinds of biological databases publicly available nowadays provide us a goldmine of multidiscipline big data. The Cancer Genome Atlas is a cancer database including detailed information of many patients with cancer. DrugBank is a database in...
In recent years, the successful implementation of human genome project has made people realize that genetic, environmental and lifestyle factors should be combined together to study cancer due to the complexity and various forms of the disease. The i...
The discovery of macromolecular targets for bioactive agents is currently a bottleneck for the informed design of chemical probes and drug leads. Typically, activity profiling against genetically manipulated cell lines or chemical proteomics is pursu...
Journal of chemical information and modeling
31738539
Protein associations are at the core of biological activity, and the drug-based disruption of dysfunctional associations poses a major challenge to targeted therapy. The problem becomes daunting when the structure and regulated modulation of the comp...
Hepatocellular carcinoma (HCC) is the most common form of primary adult liver cancer. After nearly a decade with sorafenib as the only approved treatment, multiple new agents have demonstrated efficacy in clinical trials, including the targeted thera...
International journal of molecular sciences
32325898
The therapeutic concept of unleashing a pre-existing immune response against the tumor by the application of immune-checkpoint inhibitors (ICI) has resulted in long-term survival in advanced cancer patient subgroups. However, the majority of patients...
Chronic pain is highly prevalent and poorly controlled, of which the accurate underlying mechanisms need be further elucidated. Herbal drugs have been widely used for controlling various pain disorders. The systematic integration of pain herbal data ...
Precision oncology involves effectively selecting drugs for cancer patients and planning an effective treatment regimen. However, for Molecular targeted drug, using genomic state of the drug target to select drugs has limitations. Many patients who c...
Artificial intelligence (AI) has strong logical reasoning ability and independent learning ability, which can simulate the thinking process of the human brain. AI technologies such as machine learning can profoundly optimize the existing mode of anti...
International journal of molecular sciences
32438666
Computational methods for predicting the macromolecular targets of drugs and drug-like compounds have evolved as a key technology in drug discovery. However, the established validation protocols leave several key questions regarding the performance a...