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Secondary Binding Site of CYP17A1 in Enhanced Sampling Simulations

Tomasz M Wróbel1,2, Damian Bartuzi1,3, Agnieszka A Kaczor1,4

  • 1Department of Synthesis and Chemical Technology of Pharmaceutical Substances with Computer Modeling Laboratory, Faculty of Pharmacy, Medical University of Lublin, 4A Chodźki St., 20093 Lublin, Poland.

Journal of Chemical Information and Modeling
|September 26, 2024
PubMed
Summary

Scientists identified a new binding site on CYP17A1, an enzyme crucial for prostate cancer growth. This discovery offers a novel strategy for developing new CYP17A1 inhibitors to treat prostate cancer.

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