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- W2953462635 abstract "Acute Myeloid Leukaemia (AML) is a blood cancer, which affects the red blood cells in the bone marrow. Of the possible proteins that are affected in AML, fms-like tyrosine kinase 3 (FLT3) has long been recognized as a potential therapeutic target as it affects the other signaling pathways and leads to a cascade of events. First-generation inhibitors sorafenib and midostaurin, as well as secondgeneration agents such as quizartinib and crenolanib are known. It is of interest to identify new compounds against FLT3 with improved activity using molecular docking and virtual screening. Molecular docking of existing inhibitors selected a top scoring bestestablished candidate Quizartinib having PubChem CID: 24889392. Similarity searching resulted in compound XGIQBUNWFCCMASUHFFFAOYSA-NPubChemCID: 44598530 which shows higher affinity scores. A comparative study of both the compounds using a drug-drug comparison, ADMET studies, boiled egg plot and pharmacophore parameters and properties confirmed the result and predicted the ligand to be an efficient inhibitor of FLT3." @default.
- W2953462635 created "2019-07-12" @default.
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- W2953462635 date "2019-02-28" @default.
- W2953462635 modified "2023-10-14" @default.
- W2953462635 title "FLT3 inhibitor design using molecular docking based virtual screening for acute myeloid leukemia" @default.
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- W2953462635 doi "https://doi.org/10.6026/97320630015104" @default.
- W2953462635 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/6677903" @default.
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- W2953462635 hasPublicationYear "2019" @default.
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