Sàng lọc các dẫn xuất 2‒mercaptoimidazole sử dụng làm thuốc trong điều trị ung thư vú
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Author
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Tran Viet AnhThe University of Danang - University of Technology and Education, Danang, VietnamHuynh Thi Diem UyenThe University of Danang - University of Technology and Education, Danang, VietnamLe Thi Dieu HuongThe University of Danang - University of Technology and Education, Danang, VietnamNguyen Quang TrungThe University of Danang ‒ University of Science and Education; Quality Assurance and Testing Center 2, Danang, VietnamQuan V. VoThe University of Danang - University of Technology and Education, Danang, Vietnam
Từ khóa:
Tóm tắt
2‒Mecaptoimidazole (2MC), hợp chất tautomer của nó (2MI) và các dẫn xuất được sàng lọc để đánh giá tiềm năng chống oxy hoá và điều trị ung thư vú. Khảo sát 14 nhóm thế trên vòng ovothiol cho thấy, 2MC, 2MI và các dẫn xuất 5‒NH2‒2MC, 5‒NMe2‒2MC, 5‒NH2‒2MI và 5‒NMe2‒2MI có giá trị BDE thấp hơn các hợp chất chống oxy hoá như viniferifuran, resveratrol và puerarin, dự đoán phản ứng bắt gốc tự do trong pha khí có thể xảy ra theo cơ chế FHT. Các hợp chất nghiên cứu đều có năng lượng tương tác âm với ERα (1HVY) và Aromatase (1DNU), các thông số dược động học ADME đều tuân thủ quy tắt Lipinsky, trong đó 4‒COOH‒2MC, 4‒C₆H₅‒2MC, 5‒COOH‒2MC, 5‒C₆H₅‒2MC, 5‒NH₂‒2MC, 1‒C₆H₅‒2MI, 5‒COOH‒2MI, 5‒CH≡C‒2MI và 5‒C₆H₅‒2MI là các dẫn xuất có tiềm năng để phát triển thuốc điều trị ung thư vú tương tự như doxorubicin.
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