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International Journal of Zoology and Applied Biosciences Research Article

Targeting HSP70 (HSPA 1A) in renal and breast cancer: An integrated virtual screening and docking study

Raju S, Nirmala B, R Lavanya, Nafisa Farheen and Geetha C

Year : 2025 | Pages: 211-214

doi: https://doi.org/10.55126/ijzab.2025.v10.i06.SP047

Received on: 11/09/2025

Revised on: 20/10/2025

Accepted on: 24/10/2025

Published on: 20/11/2025

  • Raju S, Nirmala B, R Lavanya, Nafisa Farheen and Geetha C( 2025).

    Targeting HSP70 (HSPA 1A) in renal and breast cancer: An integrated virtual screening and docking study

    . International Journal of Zoology and Applied Biosciences, 10( 6), 211-214.

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Abstract

Heat Shock Protein 70 (Hsp70/HSPA1A) is a major molecular chaperone involved in protein folding, stress tolerance, apoptosis regulation, and chemoresistance in several malignancies, including renal and breast cancers. Due to its central role in tumor progression and survival, Hsp70 represents an attractive therapeutic target. The present study integrates virtual screening, molecular docking, and ADMET analysis to identify novel small-molecule modulators of HSPA1A. A curated library of 8,000 drug-like compounds was screened using Lipinski and pharmacokinetic filters, followed by high-precision docking using AutoDock Vina against the ATP-binding pocket of Hsp70. The top hits demonstrated strong binding affinities (−8.3 to −9.1 kcal/mol) and stable interactions with essential residues Lys71, Glu175, and Phe68. ADMET evaluation revealed favorable bioavailability, low predicted toxicity, and acceptable drug-likeness. These in silico findings suggest promising lead candidates that warrant further molecular dynamics simulations and experimental validation for potential application in renal and breast cancer therapeutics.

Keywords

Hsp70, HSPA1A, Renal cancer, Breast cancer, Molecular docking, Virtual screening.

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    © The Author(s) 2025. This article is published by International Journal of Zoology and Applied Biosciences under the terms of the Creative Commons Attribution 4.0 International License (creativecommons.org), which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.

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