Computer-aided design, synthesis and evaluation of new SARS-CoV-2 Mpro inhibitors based on 1,5,6,7-tetrahydro-4H-indazol-4-one scaffold - Piven, Yuri A.; Zinovich, Veronica G.; Shcherbakov, Dmitriy N.; Chirkova, Varvara Yu; Belenkaya, Svetlana V.; Puzanau, Raman M.; Khlebnicova, Tatyana S.; Lakhvich, Fedor A. (Medicinal chemistry research, 2024)
Keywords: Biochemistry; Biomedical and Life Sciences; Biomedicine; Bioorganic Chemistry; CAD; Computer aided design; Inorganic Chemistry; Mathematical analysis; Medicinal Chemistry; Molecular docking; Molecular dynamics; Original Research Article; Pharmacology/Toxicology; Protease inhibitors; Proteinase inhibitors; Severe acute respiratory syndrome coronavirus 2; Synthesis; indazol-4-ones; SARS-CoV-2; 1, 5, 6, 7-Tetrahydro-4; Molecular dynamics; 3CL; M; Molecular docking