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Future medicinal chemistry

Future medicinal chemistry

IF: 3.2
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Structure-based virtual screening towards the discovery of novel?FOXM1?inhibitors

Published:1 February 2022 DOI: 10.4155/fmc-2021-0282 PMID: 34809496
Zhuo-Song Xie, Zi-Ying Zhou, Lian-Qi Sun, Hong Yi, Si-Tu Xue, Zhuo-Rong Li

Abstract

Aim: Given the importance of FOXM1 in the treatment of ovarian cancer, we aimed to identify an excellent specific inhibitor and examined its underlying therapeutic effect. Materials & methods: The binding statistics for FDI-6 with FOXM1 were calculated through computer-aided drug design. We selected XST-119 through virtual screening, performed surface plasmon resonance?and in?vitro cell antiproliferative activity analysis?and evaluated its antitumor efficacy in a mouse model. Results: XST-119 had significantly higher affinity for FOXM1 and antiproliferative activity than FDI-6. XST-119 had a definite inhibitory activity in a xenograft mouse?model. Conclusion: We identified?XST-119, a FOXM1 inhibitor, with better efficacy for treatment of ovarian cancer. FOXM1 binding sites for small molecules are also highlighted, which may provide the foundation for further drug discovery.

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