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Dynamics of nucleoplasm in human leukemia cells: A thrust towards designing anti-leukemic agents.
Bairagya, Hridoy R.
Affiliation
  • Bairagya HR; Computational Drug Design and Bio-molecular Simulation Lab, Department of Bioinformatics, Maulana Abul Kalam Azad University of Technology, West Bengal, 741249, India. Electronic address: hbairagya@gmail.com.
J Mol Graph Model ; 131: 108807, 2024 Sep.
Article de En | MEDLINE | ID: mdl-38908255
ABSTRACT
The human inosine monophosphate dehydrogenase (hIMPDH) is a metabolic enzyme that possesses a unique ability to self-assemble into higher-order structures, forming cytoophidia. The hIMPDH II isoform is more active in chronic myeloid leukemia (CML) cancer cells, making it a promising target for anti-leukemic therapy. However, the structural details and molecular mechanisms of the dynamics of hIMPDHcytoophidia assembly in vitro need to be better understood, and it is crucial to reconstitute the computational nucleoplasm model with cytophilic-like polymers in vitro to characterize their structure and function. Finally, a computational model and its dynamics of the nucleoplasm for CML cells have been proposed in this short review. This research on nucleoplasm aims to aid the scientific community's understanding of how metabolic enzymes like hIMPDH function in cancer and normal cells. However, validating and justifying the computational results from modeling and simulation with experimental data is essential. The new insights gained from this research could explain the structure/topology, geometrical, and electronic consequences of hIMPDH inhibitors on leukemic and normal cells. They could lead to further advancements in the knowledge of nucleoplasmic chemical reaction dynamics.
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Texte intégral: 1 Collection: 01-internacional Base de données: MEDLINE Sujet principal: IMP dehydrogenase / Antinéoplasiques Limites: Humans Langue: En Journal: J Mol Graph Model Sujet du journal: BIOLOGIA MOLECULAR Année: 2024 Type de document: Article

Texte intégral: 1 Collection: 01-internacional Base de données: MEDLINE Sujet principal: IMP dehydrogenase / Antinéoplasiques Limites: Humans Langue: En Journal: J Mol Graph Model Sujet du journal: BIOLOGIA MOLECULAR Année: 2024 Type de document: Article
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