Title : Structure-based analysis and biological characterization of imatinib derivatives reveal insights towards the inhibition of wild-type BCR-ABL and its mutants.

Pub. Date : 2019 Dec 15

PMID : 31699612






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1 Structure-based analysis and biological characterization of imatinib derivatives reveal insights towards the inhibition of wild-type BCR-ABL and its mutants. imatinib ABL proto-oncogene 1, non-receptor tyrosine kinase Homo sapiens
2 To reveal insights into the inhibition of BCR-ABL and its mutants, structure-based computing methods, such as docking, molecular dynamics (MD) simulation, the molecular mechanics generalized born surface area (MMGBSA), and biological characterizations, were employed to analyze two main pharmacophore zones and two related regions of imatinib derivatives. imatinib ABL proto-oncogene 1, non-receptor tyrosine kinase Homo sapiens
3 The results of our structure-based analysis and biological characterization of imatinib derivatives towards the inhibition of wild-type BCR-ABL and its mutants may provide new ideas for the design of imatinib analogs with potent activity. imatinib ABL proto-oncogene 1, non-receptor tyrosine kinase Homo sapiens
4 The results of our structure-based analysis and biological characterization of imatinib derivatives towards the inhibition of wild-type BCR-ABL and its mutants may provide new ideas for the design of imatinib analogs with potent activity. imatinib ABL proto-oncogene 1, non-receptor tyrosine kinase Homo sapiens