Deciphering Structural Features for Effective Hsp90 Alpha Inhibition in Cancer Therapy

EasyChair Preprint 11558

Abstract

Cancer 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

@booklet{EasyChair:11558,
  author    = {Kurez Oroy and Kirill Panchenko},
  title     = {Deciphering Structural Features for Effective Hsp90 Alpha Inhibition in Cancer Therapy},
  howpublished = {EasyChair Preprint 11558},
  year      = {EasyChair, 2023}}