Quinolone drugs, mainly acting on Gram-negative bacteria, are a very common class of antibiotics, which is a kind of antibacterial agent with selective inhibition of bacterial DNA helicase. Cancer remains one of the leading causes of human death and a major public health problem worldwide. However, there is still a lack of effective cancer treatment methods, existing cancer treatment methods not only can not be effective treatment, and may even bring huge side effects. It has been found that quinolone structure is an important structural feature in many compounds with good anticancer activity, and it is a potential tyrosine kinase inhibitor and anti-tumor topoisomerase Ⅰ inhibitor. Hybridization of quinolones with other anticancer pharmacophore may provide more effective anticancer drug candidates, some of which are already approved for cancer treatment or are in clinical trials. This database integrates the reported quinolones and constructs a knowledge base of quinolones to aid the treatment of cancer. A total of 436 compounds were included in the database, including compound names, structures, basic physicochemical properties, target sites, active cells, and cytotoxic data IC50, as well as corresponding references and links, in order to provide reference and research basis for the development of quinolones anticancer drugs and reduce research costs.
Evodia rutaecarpa alkaloids are natural alkaloids extracted from Evodia rutaecarpa. It is reported that this biologically active alkaloid has a wide range of biological activities, including anti-injury, anti obesity, vasodilation, and anti-inflammatory effects. In recent years, it has been found that evodia rutaecarpa alkaloids have antitumor effects on a variety of tumors. There is increasing evidence that evodia rutaecarpa alkaloids can inhibit the rapid proliferation of tumor cells, induce cell cycle arrest at a certain stage, increase the incidence of apoptosis, promote autophagy, inhibit angiogenesis and migration, and regulate immunotherapy. In order to facilitate the query of the inhibitory effect and mechanism of evodia rutaecarpa alkaloids on common tumor cell lines, and facilitate the subsequent structural modification, with a view to finding evodia rutaecarpa alkaloids with significant tumor inhibitory effects, an anti-tumor database based on a large number of literature reviews was constructed. The database contains numerous entries such as the name, structure, molecular formula, molecular weight, anti-tumor cell line, IC50, action targets, clinical stages, and corresponding links of Evodia rutaecarpa alkaloids. Cancer is a major disease threatening human health. Currently, the main anticancer drugs include antimetabolites, alkylating agents, anti-tumor antibiotics, and anti-tumor botanical drugs, such as fluorouracil, nitrogen mustard, actinomycins, and vincristine. However, the research and development of new anticancer drugs has a long way to go. As a traditional Chinese medicine, some of the alkaloids of Evodia rutaecarpa can play an anti-tumor role well. Therefore, The database will be helpful for early screening of anti tumor drugs and make certain contributions to drug research and development.
Nucleosides and nucleotide analogues are artificially synthesized. Substances that have undergone certain chemical modifications can mimic nucleosides and nucleotides in vivo and participate in DNA or RNA synthesis. Because they cannot function normally, they can block cell division or virus replication. In addition to participating in nucleic acid composition, nucleosides and nucleotide analogues can also act on some important enzymes in the body to inhibit enzyme activity, such as human and virus polymerase (DNA-dependent DNA polymerase, RNA-dependent DNA polymerase or RNA-dependent RNA polymerase), kinase, nucleotide reductase, DNA methyltransferase, purine and pyrimidine nucleoside phosphorylase and thymidylate synthase. These mechanisms of action of nucleoside and nucleotide analogues have potential application value in inhibiting cancer cell growth, virus replication and treating other indications. In order to integrate the data resources and results of many nucleosides drugs research and promote comparative research, literature review and information extraction analysis were carried out, thus a knowledge base of nucleoside drugs was constructed, which contained 553 pieces of information to assist the treatment of cancer and virus by nucleoside drugs. The database covers the drug name, structural formula, structure, catalogue name, CAS number, relative molecular weight, biological activity, target, pathway, solubility, concentration, reference titles and corresponding website sources. The interface supports query functions, such as "CAS registration number of drugs" and "structure". Therefore, the database of nucleoside drugs will be helpful to find new indications for cancer treatment besides the efficacy of nucleoside drugs themselves from the idea of "old drugs are used for new purposes".