Development of machine learning models for the screening of potential HSP90 inhibitors.

Autor:	Khan MI; Department of Family Medicine, Gangnam Severance Hospital, Yonsei University College of Medicine, Seoul, South Korea., Park T; Department of Family Medicine, Gangnam Severance Hospital, Yonsei University College of Medicine, Seoul, South Korea., Imran MA; Department of Family Medicine, Gangnam Severance Hospital, Yonsei University College of Medicine, Seoul, South Korea., Gowda Saralamma VV; Department of Family Medicine, Gangnam Severance Hospital, Yonsei University College of Medicine, Seoul, South Korea., Lee DC; Department of Family Medicine, Severance Hospital, Yonsei University College of Medicine, Seoul, South Korea., Choi J; BNJBiopharma, Yonsei University International Campus, Incheon, South Korea., Baig MH; Department of Family Medicine, Gangnam Severance Hospital, Yonsei University College of Medicine, Seoul, South Korea., Dong JJ; Department of Family Medicine, Gangnam Severance Hospital, Yonsei University College of Medicine, Seoul, South Korea.
Jazyk:	angličtina
Zdroj:	Frontiers in molecular biosciences [Front Mol Biosci] 2022 Oct 19; Vol. 9, pp. 967510. Date of Electronic Publication: 2022 Oct 19 (Print Publication: 2022).
DOI:	10.3389/fmolb.2022.967510
Abstrakt:	Heat shock protein 90 (Hsp90) is a molecular chaperone playing a significant role in the folding of client proteins. This cellular protein is linked to the progression of several cancer types, including breast cancer, lung cancer, and gastrointestinal stromal tumors. Several oncogenic kinases are Hsp90 clients and their activity depends on this molecular chaperone. This makes HSP90 a prominent therapeutic target for cancer treatment. Studies have confirmed the inhibition of HSP90 as a striking therapeutic treatment for cancer management. In this study, we have utilized machine learning and different in silico approaches to screen the KCB database to identify the potential HSP90 inhibitors. Further evaluation of these inhibitors on various cancer cell lines showed favorable inhibitory activity. These inhibitors could serve as a basis for future development of effective HSP90 inhibitors. Competing Interests: JC was employed by the company BNJBiopharma. The remaining authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest. (Copyright © 2022 Khan, Park, Imran, Gowda Saralamma, Lee, Choi, Baig and Dong.)
Databáze:	MEDLINE
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