Exploring the Chemical Space of CYP17A1 Inhibitors Using Cheminformatics and Machine Learning

Exploring the Chemical Space of CYP17A1 Inhibitors Using Cheminformatics and Machine Learning

Cytochrome P450 17A1 (CYP17A1) is one of the key enzymes in steroidogenesis that produces dehydroepiandrosterone (DHEA) from cholesterol. Abnormal DHEA production may lead to the progression of severe diseases, such as prostatic and breast cancers. Thus, CYP17A1 is a druggable target for anti-cancer...

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Bibliographic Details
Main Authors: Tianshi Yu, Tianyang Huang, Leiye Yu, Chanin Nantasenamat, Nuttapat Anuwongcharoen, Theeraphon Piacham, Ruobing Ren, Ying-Chih Chiang
Format: Article
Language:English
Published: MDPI AG 2023-02-01
Series:Molecules
Subjects:
CYP17A1
prostate cancer
cheminformatics
quantitative structure–activity relationship
Murcko scaffold
Online Access:https://www.mdpi.com/1420-3049/28/4/1679

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