Version 1
: Received: 28 June 2023 / Approved: 28 June 2023 / Online: 28 June 2023 (08:23:27 CEST)
How to cite:
Swati, K.; Quazi, S.; Srivastava, R.; Panda, S. P.; Agrawal, K.; Parkash, A.; Kumar, D. Exploring Silybin B as a FOXM1 Inhibitor in Glioblastoma Stem Cells: Molecular Docking, ADMET, and Molecular Dynamics Approaches. Preprints2023, 2023061963. https://doi.org/10.20944/preprints202306.1963.v1
Swati, K.; Quazi, S.; Srivastava, R.; Panda, S. P.; Agrawal, K.; Parkash, A.; Kumar, D. Exploring Silybin B as a FOXM1 Inhibitor in Glioblastoma Stem Cells: Molecular Docking, ADMET, and Molecular Dynamics Approaches. Preprints 2023, 2023061963. https://doi.org/10.20944/preprints202306.1963.v1
Swati, K.; Quazi, S.; Srivastava, R.; Panda, S. P.; Agrawal, K.; Parkash, A.; Kumar, D. Exploring Silybin B as a FOXM1 Inhibitor in Glioblastoma Stem Cells: Molecular Docking, ADMET, and Molecular Dynamics Approaches. Preprints2023, 2023061963. https://doi.org/10.20944/preprints202306.1963.v1
APA Style
Swati, K., Quazi, S., Srivastava, R., Panda, S. P., Agrawal, K., Parkash, A., & Kumar, D. (2023). Exploring Silybin B as a FOXM1 Inhibitor in Glioblastoma Stem Cells: Molecular Docking, ADMET, and Molecular Dynamics Approaches. Preprints. https://doi.org/10.20944/preprints202306.1963.v1
Chicago/Turabian Style
Swati, K., Anand Parkash and Dhruv Kumar. 2023 "Exploring Silybin B as a FOXM1 Inhibitor in Glioblastoma Stem Cells: Molecular Docking, ADMET, and Molecular Dynamics Approaches" Preprints. https://doi.org/10.20944/preprints202306.1963.v1
Abstract
Glioblastoma multiforme (GBM) is a highly heterogeneous brain tumor with limited treatment options and a poor prognosis. Cancer stem cells (CSCs) have emerged as a critical factor in GBM resistance and management, contributing to tumor growth, heterogeneity, and immunosuppression. The transcription factor FOXM1 has been identified as a key player in the progression, spread, and therapy resistance of various cancers, including GBM. In this study, researchers conducted structure-based in silico screening to identify natural compounds that could target the DNA-binding domain (DBD) of the FOXM1 protein. Through molecular docking analyses, identified Silybin B as a potential inhibitor of FOXM1, exhibiting strong interaction with the protein. MD simulations were performed to validate the binding stability of the FOXM1-Silybin B complex. The study provides valuable insights into the potential of Silybin B as a FOXM1 inhibitor and its ability to induce senescence in GBM stem cells. These findings contribute to the development of structure-based design strategies for FOXM1 inhibitors and innovative therapeutic approaches for the treatment of Glioblastoma.
Medicine and Pharmacology, Oncology and Oncogenics
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.