Related Experiment Video

Updated: Feb 11, 2026

Generation of Prostate Cancer Cell Models of Resistance to the Anti-mitotic Agent Docetaxel
06:44

Generation of Prostate Cancer Cell Models of Resistance to the Anti-mitotic Agent Docetaxel

Published on: September 8, 2017

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Integrating virtual screening and molecular dynamics simulations to identify emodin as a PYCR1 inhibitor modulating

Shuai Liu1, Yongfeng Lao1, Long Cheng1

  • 1Department of Urology, The Second Hospital and Clinical Medical School, Lanzhou University, Lanzhou, Gansu, China.

Journal of Enzyme Inhibition and Medicinal Chemistry
|February 10, 2026
PubMed

Insights

Pyrroline-5-carboxylic acid reductase 1 (PYCR1) drives docetaxel resistance in prostate cancer. Targeting PYCR1 with emodin may overcome this resistance, offering a new clinical strategy for castration-resistant prostate cancer (CRPC) treatment.

Area of Science:

  • Oncology
  • Molecular Biology
  • Pharmacology

Background:

  • Docetaxel (DTX) resistance is a major challenge in treating castration-resistant prostate cancer (CRPC).
  • Pyrroline-5-carboxylic acid reductase 1 (PYCR1), involved in proline metabolism, is upregulated in cancers but its role in DTX resistance in prostate cancer is unknown.

Purpose of the Study:

  • To investigate the role of PYCR1 in DTX resistance in prostate cancer.
  • To identify potential therapeutic agents targeting PYCR1 to overcome DTX resistance.

Main Methods:

  • Bioinformatics analyses, in vitro/vivo experiments to assess PYCR1's role.
  • Structure-based virtual screening, molecular dynamics simulations, and CETSA to identify PYCR1 inhibitors.
  • In vitro experiments to verify safety and efficacy of identified agents.

Main Results:

  • Interfering with PYCR1 expression altered prostate cancer cell sensitivity to DTX.
  • Emodin was identified as a PYCR1-targeting agent.
  • The combination of emodin and DTX showed potential in overcoming resistance.

Conclusions:

  • PYCR1 is a key mediator of DTX resistance in prostate cancer.
  • Emodin-DTX combination therapy presents a promising strategy for CRPC treatment.
  • Further studies confirmed the functions and safety of emodin.
Keywords:
DocetaxelPYCR1emodinprostate cancervirtual screening

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