PCW-A1001, AI-assisted de novo design approach to design a selective inhibitor for FLT-3(D835Y) in acute myeloid leukemia
Treating acute myeloid leukemia (AML) by targeting FMS-like tyrosine kinase 3 (FLT-3) is considered an effective treatment strategy. By using AI-assisted hit optimization, we discovered a novel and highly selective compound with desired drug-like properties with which to target the FLT-3 (D835Y) mut...
Main Authors: | Seong Hun Jang, Dakshinamurthy Sivakumar, Sathish Kumar Mudedla, Jaehan Choi, Sungmin Lee, Minjun Jeon, Suneel Kumar Bvs, Jinha Hwang, Minsung Kang, Eun Gyeong Shin, Kyu Myung Lee, Kwan-Young Jung, Jae-Sung Kim, Sangwook Wu |
---|---|
Format: | Article |
Language: | English |
Published: |
Frontiers Media S.A.
2022-11-01
|
Series: | Frontiers in Molecular Biosciences |
Subjects: | |
Online Access: | https://www.frontiersin.org/articles/10.3389/fmolb.2022.1072028/full |
Similar Items
-
The Structural Effect of FLT3 Mutations at 835th Position and Their Interaction with Acute Myeloid Leukemia Inhibitors: In Silico Approach
by: Abeer M. Al-Subaie, et al.
Published: (2021-07-01) -
Role of Biomarkers in FLT3 AML
by: Nitika, et al.
Published: (2022-02-01) -
The Flt3L/Flt3 Axis in Dendritic Cell Biology and Cancer Immunotherapy
by: Francisco J. Cueto, et al.
Published: (2021-03-01) -
Therapeutic Targeting of FLT3 in Acute Myeloid Leukemia: Current Status and Novel Approaches
by: Tecik M, et al.
Published: (2022-11-01) -
Quantum-based machine learning and AI models to generate force field parameters for drug-like small molecules
by: Sathish Kumar Mudedla, et al.
Published: (2022-10-01)