Khảo sát cơ chế phản ứng thủy phân Axetylcholin nhờ enzym ở cá đuối điện bằng phương pháp QM/MM

• Tác giả: Ngọc Thiềm Lâm, Hữu Thọ Nguyễn, Thị Thu Cúc Tống
• Ngôn ngữ: vie
• Ký hiệu phân loại: 612.744 Biochemistry
• Thông tin xuất bản: Hóa học, 2014
• Mô tả vật lý: 789-793
• Bộ sưu tập: Metadata
• ID: 503873

Tóm tắt

The mechanism of the hydrolysis of acetylcholine (a neurotransmitter) catalyzed by enzyme in Torpedo califomica was verified on structure and energy using QM/MM method. Structures of intermediates (state when substrate approaches active site, enzyme-substrate complex, and state when choline is eliminated) were optimized. The transition states were located with the estimation for the activation energy was 4.581 kcal/mol for the formation of enzyme-substrate complex, and 7.598 kcal/mol for the elimination of choline.