Download PDFOpen PDF in browserDeciphering Structural Features for Effective Hsp90 Alpha Inhibition in Cancer TherapyEasyChair Preprint 115586 pages•Date: December 17, 2023AbstractCancer therapy continues to face challenges, necessitating innovative approaches for the development of effective and targeted treatments. In this context, heat shock protein 90 (Hsp90) has emerged as a promising molecular target due to its pivotal role in regulating cellular processes, particularly in cancer cells. This study focuses on deciphering the structural features essential for effective inhibition of Hsp90 alpha, aiming to contribute valuable insights to cancer therapy. Through a comprehensive pharmacophore modeling approach, we systematically analyze a dataset comprising inhibitors targeting Hsp90 alpha. The dataset, sourced from Binding DB, is curated to identify structural moieties crucial for inhibitory activity. The pharmacophore model constructed reveals key features, including lipophilic regions, hydrogen-bond donors, and acceptors, essential for effective Hsp90 alpha inhibition. Keyphrases: Anti-cancer drug design, Hsp90 alpha inhibitors, Pharmacophore modeling
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