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Abiraterone (17-(3-pyridyl)androsta-5,16-dien-3β-ol) is a potent small-molecule inhibitor of CYP17 complex (17 alpha-monooxygenase) which is a member of the cytochrome P450 family consisting of 17 alpha-hydroxylase and C17,20-lyase and catalyzing the 17 alpha-hydroxylation of intermediates of steroid biosynthesis involved in testerone sysnthesis. Abiraterone inhibits CYP17 complex by binding to the haem iron of CYP17A1, which forms a 60o angle above the haem plane and packs against the central I helix with 3β-OH interacting with aspargine 202 in the F helix. Abiraterone is currently being investigated to treat late stage prostate cancer, in which it consistently suppresses testosterone levels, leads to significant reduction in PSA level, and prolong life in patients with castration-resistant prostate cancer (CRPC).

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