The identification of potent dual-target monopolar spindle 1 (MPS1) and histone deacetylase 8 (HDAC8) inhibitors through pharmacophore modeling, molecular docking, molecular dynamics simulations, and biological evaluation
The study suggests that MPH-5 is a potent, selective, high-efficacy, and low-toxicity antitumor candidate for the treatment of hepatocellular carcinoma.
Authors
- Yifei Geng (ORCID: https://orcid.org/0000-0003-1308-6301)
- Lixia Guan
- Huilian Hua
- Miaomiao Niu (ORCID: https://orcid.org/0000-0001-6368-8525)
- Junyi Gao (ORCID: https://orcid.org/0000-0002-7662-9177)
- Zhiqin Li (ORCID: https://orcid.org/0000-0002-2903-1375)
- Jindong Li (ORCID: https://orcid.org/0000-0001-9050-2896)
- Bo Pan (ORCID: https://orcid.org/0000-0002-8448-6268)
Institutions
- China Pharmaceutical University (CN)
- Nantong University (CN)
- The Affiliated Taizhou People's Hospital of Nanjing Medical University (CN)
- Yangzhou University (CN)
- Taizhou University (CN)
Publication Details
- Journal
- Frontiers in Pharmacology
- Published
- 2024-09-16
- DOI
- https://doi.org/10.3389/fphar.2024.1454523
- Citations
- 1
- Primary Topic
- Histone Deacetylase Inhibitors Research
- Type
- article
- Field-Weighted Citation Impact
- 0.23