Rational design and synthesis of pyrazole derivatives as potential SARS-CoV-2 M

• Tác giả: Arildo José Braz de Oliveira, João Vítor Perez de Souza, Arthur Antunes Ferrarezi, Regina Aparecida Correia Gonçalves, Érika Seki Kioshima, Bernard Maigret, Sidnei Moura, Fernanda Andreia Rosa
• Ngôn ngữ: eng
• Ký hiệu phân loại: 004.338 Systems analysis and design, computer architecture, performance evaluation of real-time computers
• Thông tin xuất bản: England : Bioorganic & medicinal chemistry , 2025
• Bộ sưu tập: NCBI
• ID: 497798

Tóm tắt

The global impact of SARS-CoV-2 has highlighted the urgent need for novel antiviral therapies. This study integrates combinatorial chemistry, molecular docking, and deep learning to design, evaluate and synthesize new pyrazole derivatives as potential inhibitors of the SARS-CoV-2 main protease (M