Synthetic & Natural Product Discovery Laboratory, Department of Chemistry, Government College Women's University Faisalabad, 38000, Pakistan.
Department of Chemistry, University of WAH, Wah Cantt, 44700, Pakistan.
Future Med Chem. 2023 Jun;15(12):1069-1089. doi: 10.4155/fmc-2023-0132. Epub 2023 Jul 28.
Due to the close relationship of diabetes with hypertension reported in various research, a set of pyridine derivatives with US FDA-approved drug cores were designed and integrated by artificial intelligence. Novel pyridines were designed and synthesized. Compounds - were evaluated for their structure and were screened for their antidiabetic (α-amylase) activity and anticancer (HepG2) activity by methyl thiazolyl tetrazolium assay. Comparative 3D quantitative structure-activity relationship analysis and pharmacophore generation were carried out. The study revealed and as good alternatives to acarbose as antidiabetic agents, and as a more viable, better alternative to doxorubicin in the methyl thiazolyl tetrazolium assay. This combination of studies identifies new and more active analogs of existing FDA-approved drugs for the treatment of diabetes.
由于各种研究报告糖尿病与高血压之间的密切关系，我们通过人工智能设计并整合了一组具有美国食品和药物管理局批准药物核心的吡啶衍生物。设计并合成了新型吡啶。通过噻唑蓝比色法评估了化合物 - 的结构，并筛选了它们的抗糖尿病（α-淀粉酶）活性和抗癌（HepG2）活性。进行了比较的 3D 定量构效关系分析和药效团生成。研究揭示了和作为抗糖尿病药物替代阿卡波糖的良好选择，和作为阿霉素在噻唑蓝比色法中的更可行、更好的替代物。这些研究的结合为治疗糖尿病确定了新的、更有效的现有美国食品和药物管理局批准药物的类似物。
