One-pot synthesis, molecular docking, ADMET, and DFT studies of novel pyrazolines as promising SARS-CoV-2 main protease inhibitors

Research on Chemical Intermediates - Tập 48 Số 11 - Trang 4729-4751 - 2022
Rezan Huseen Hama Salih1, Aso Hameed Hasan1, Awaz J. Hussein2, Mohammed K. Samad2, Sonam Shakya3, Joazaizulfazli Jamalis4, Farouq E. Hawaiz2, Mohammad Rizki Fadhil Pratama5
1Department of Chemistry, College of Science, University of Garmian, Kalar, Kurdistan Region-Iraq, 46021, Iraq
2Department of Chemistry, College of Education, Salahaddin University, Erbil, Kurdistan Region-Iraq 44001, Iraq
3Department of Chemistry, Faculty of Science Aligarh Muslim University, Aligarh 202002, India
4Department of Chemistry, Faculty of Science, University Teknologi Malaysia, 81310 Johor Bahru, Johor, Malaysia.
5Doctoral Program of Pharmaceutical Sciences, Universitas Airlangga, Jl Dr Ir Soekarno Kampus C UNAIR Mulyorejo, Surabaya, East Java, 60115, Indonesia

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