Rational design, synthesis, biological evaluation, molecular docking, and molecular dynamics of substituted uracil derivatives as potent anti-cancer agents.

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作者： Ebtessam A,Basiony ^[1] ; Allam A,Hassan ^[2] ; Mohamed,Elsawalhy ^[3] ; Adel A-H,Abdel-Rahman ^[3] ; Hayam,Mansour ^[4] ; Reem K,Arafa ^[5] ; Nasser A,Hassan ^[6]

作者单位： Department of Chemistry, Faculty of Science, Menoufia University, Egypt; Department of Photochemistry (Synthetic Unit), Chemical Industries Research Institute, National Research Centre, Cairo 12622, Egypt. ^[1] Department of Chemistry, Faculty of Science, Suez University, Suez 43221, Egypt. ^[2] Department of Chemistry, Faculty of Science, Menoufia University, Egypt. ^[3] Department of Cell Biology, Biotechnology Research Institute, National Research Centre, Cairo 12622, Egypt. ^[4] Drug Design and Discovery Lab, Zewail City of Science and Technology, Cairo 12578, Egypt; Biomedical Sciences Program, University of Science and Technology, Zewail City of Science and Technology, Cairo 12578, Egypt. Electronic address: rkhidr@zewailcity.edu.eg. ^[5] Department of Photochemistry (Synthetic Unit), Chemical Industries Research Institute, National Research Centre, Cairo 12622, Egypt. Electronic address: nasserabdelhamid@hotmail.com. ^[6]

关键词 Anticancer activity Flow cytometry Molecular docking Molecular dynamics Thymidylate synthase enzyme inhibition Uracil derivatives