Discovery and synthesis of novel phenoxyacetate ester Schiff base α-glucosidase inhibitors.

• Tác giả: Li Ping Cheng, Zeng Yi Fan, Wan Pang, Song Hui Xu, Yan Yan Yu
• Ngôn ngữ: eng
• Ký hiệu phân loại: 371.90473 Special education
• Thông tin xuất bản: United States : Bioorganic chemistry , 2025
• Bộ sưu tập: NCBI
• ID: 700339

Tóm tắt

A phenoxyacetate ester Schiff base lead compound 4a (ZINC20073984) was firstly discovered through molecular docking screening and molecular dynamics (MD) simulation, which could be used as an α-glucosidase (PDB: 3A4A) inhibitor. Then a series of α-glucosidase inhibitors 4b-4r with novel structures were designed and synthesized with the lead ZINC20073984 as a template. The results of in vitro α-glucosidase inhibitory activity show that the synthesized phenoxyacetate ester Schiff base compounds 4e, 4o-4r (IC