Computational and Biological Investigations on Abl1 Tyrosine Kinase: A Review

Author(s): Masilamani Elizabeth Sobhia*, G. Siva Kumar, Antara Mallick, Harmanpreet Singh, Kranthi Kumar, Meenakshi Chaurasiya, Monica Singh, Narendra Gera, Sindhuja Deverakonda, Vinay Baghel

Journal Name: Current Drug Targets

Volume 22 , Issue 1 , 2021

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Graphical Abstract:


Abl1 tyrosine kinase is a validated target for the treatment of chronic myeloid leukemia. It is a form of cancer that is difficult to treat and much research is being done to identify new molecular entities and to tackle drug resistance issues. In recent years, drug resistance of Abl1 tyrosine kinase has become a major healthcare concern. Second and third-generation TKI reported better responses against the resistant forms; still they had no impact on long-term survival prolongation. New compounds derived from natural products and organic small molecule inhibitors can lay the foundation for better clinical therapies in the future. Computational methods, experimental and biological studies can help us understand the mechanism of drug resistance and identify novel molecule inhibitors. ADMET parameters analysis of reported drugs and novel small molecule inhibitors can also provide valuable insights. In this review, available therapies, point mutations, structure-activity relationship and ADMET parameters of reported series of Abl1 tyrosine kinase inhibitors and drugs are summarised. We summarise in detail recent computational and molecular biology studies that focus on designing drug molecules, investigation of natural product compounds and organic new chemical entities. Current ongoing research suggests that selective targeting of Abl1 tyrosine kinase at the molecular level to combat drug resistance in chronic myeloid leukemia is promising.

Keywords: Abl1 tyrosine kinase, Chronic myeloid leukemia, ADMET properties, Drug resistance, 3D-QSAR, Molecular docking, Molecular dynamics, Biological inhibitory studies.

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Article Details

Year: 2021
Published on: 31 December, 2020
Page: [38 - 51]
Pages: 14
DOI: 10.2174/1389450121999201013152513
Price: $65

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