Xác định các chất ức chế tiềm năng của aldose reductase ở người từ các hợp chất tự nhiên của cây thuốc Việt Nam bằng phương pháp in silico=Identification of potential inhibitors of human aldose reductase from natural compounds of vietnamese medicinal plants using in silico approaches

0 Người đánh giá. Xếp hạng trung bình 0

Tác giả: Thi Nhu Hoang Ngoc, Hoa Tran Thanh, Ngo Huu Phan Thanh, Pham Thi Doan Trinh

Ngôn ngữ: vie

Ký hiệu phân loại:

Thông tin xuất bản: Tạp chí Khoa học và Công nghệ - Đại học Đà Nẵng, 2024

Mô tả vật lý: tr.27-31

Bộ sưu tập: Metadata

ID: 477856

Thêm vào giỏ

Aldose reductase is a crucial component of the polyol pathway and catalyzes the NADPH-dependent reduction of glucose to sorbitol. The high activity of Aldose reductase is involved in the development and pathophysiology of diabetes complications. Therefore, this enzyme has been identified as an important target for treatment of these complications. In this study, we performed in silico investigations on natural compounds derived from Vietnamese medicinal plants to identify potential inhibitors of human Aldose reductase. The results showed that out of 307 compounds, 15 compounds were identified as potential Aldose reductase inhibitors with high docking scores and good pharmacokinetics properties. Among them, eight compounds had been proven to inhibit Aldose reductase. The other seven compounds, including Apigenin-7-O-glucuronide, 4′,7-dihydroxy-3′-methoxyflavan, N-feruloylserotonin, N-(p-Coumaroyl) Serotonin, Rosavin, Apigenin-7,4'-dimethyl ether, and Perlolyrine, should be further investigated to develop potential Aldose reductase inhibitors for the treatment of diabetes complications.Aldose reductase là một thành phần quan trọng của con đường polyol và xúc tác quá trình khử glucose thành sorbitol phụ thuộc NADPH. Hoạt động cao của Aldose reductase có liên quan đến sự phát triển và sinh lý bệnh của các biến chứng tiểu đường. Do đó, enzyme này đã được xác định là một mục tiêu quan trọng để điều trị các biến chứng này. Trong nghiên cứu này, chúng tôi đã tiến hành các nghiên cứu in silico trên các hợp chất tự nhiên có nguồn gốc từ cây thuốc Việt Nam để xác định các chất ức chế tiềm năng của Aldose reductase ở người. Kết quả cho thấy trong số 307 hợp chất, 15 hợp chất được xác định là chất ức chế Aldose reductase tiềm năng với điểm số docking cao và đặc tính dược động học tốt. Trong số đó, tám hợp chất đã được chứng minh là ức chế Aldose reductase. Bảy hợp chất còn lại, bao gồm Apigenin-7-O-glucuronide, 4′,7-dihydroxy-3′-methoxyflavan, N-feruloylserotonin, N-(p-Coumaroyl) Serotonin, Rosavin, Apigenin-7,4'-dimethyl ether và Perlolyrine, cần được nghiên cứu thêm để phát triển các chất ức chế Aldose reductase tiềm năng trong điều trị các biến chứng của bệnh tiểu đường.

1. Đọc trực tuyến

1. Đọc trực tuyến

Tạo bộ sưu tập với mã QR