Essentiality-driven prediction of anticancer drug responses in preclinical and clinical contexts

Precision oncology relies on tumor molecular profiles to predict drug responses. Instead of using conventional molecular features directly, we construct predictive signatures based on gene essentiality. Here, we present DrGee, an essentiality-centered platform that infers drug sensitivity solely from gene expression profiles. The built-in DeepEEAA model integrates gene expression, gene essentiality, drug-protein affinity, and drug-gene associations to quantitatively predict IC 50 values. DeepEEAA achieved competitive predictive performance on independent cell line datasets (R 2 = 0.764; MSE=0.9345), outperforming recent benchmark deep learning methods. DrGee prioritized four candidate drugs for the 95-D lung cancer cell line, among which BI-97C1 and trimetrexate were validated by in vitro assays and mouse xenograft experiments. Robust predictive performance was further confirmed in OVCAR8 ovarian cancer cells. In TCGA cohorts, essentiality-driven predictions stratified patients with significantly different overall survival outcomes (AUC-PR = 0.825), highlighting the translational potential of DrGee.

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Publication Details

Journal
iScience
Published
2026-07-27
DOI
https://doi.org/10.1016/j.isci.2026.116980
Primary Topic
Computational Drug Discovery Methods
Type
article
Field-Weighted Citation Impact
0.00

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article

Essentiality-driven prediction of anticancer drug responses in preclinical and clinical contexts

Anqiang Ye, Xiaohui Du, Hongtu Cui, Lu Xing et al.
iScience
Computational Drug Discovery Methods
article

Essentiality-driven prediction of anticancer drug responses in preclinical and clinical contexts

Anqiang Ye, Xiaohui Du, Hongtu Cui, Lu Xing, Xiang Lian, Di Zhang, Li J, Zhenshun Cheng, Zhen Liao, Haixia Guo, Ji-Yun Zhang, Jing Feng, Bingying Wang, Feng-Biao Guo
article en

Abstract

Precision oncology relies on tumor molecular profiles to predict drug responses. Instead of using conventional molecular features directly, we construct predictive signatures based on gene essentiality. Here, we present DrGee, an essentiality-centered platform that infers drug sensitivity solely from gene expression profiles. The built-in DeepEEAA model integrates gene expression, gene essentiality, drug-protein affinity, and drug-gene associations to quantitatively predict IC 50 values. DeepEEAA achieved competitive predictive performance on independent cell line datasets (R 2 = 0.764; MSE=0.9345), outperforming recent benchmark deep learning methods. DrGee prioritized four candidate drugs for the 95-D lung cancer cell line, among which BI-97C1 and trimetrexate were validated by in vitro assays and mouse xenograft experiments. Robust predictive performance was further confirmed in OVCAR8 ovarian cancer cells. In TCGA cohorts, essentiality-driven predictions stratified patients with significantly different overall survival outcomes (AUC-PR = 0.825), highlighting the translational potential of DrGee.

iScienceVol. 29(8)
Second Military Medical University (CN), Wuhan University (CN), Zhongnan Hospital of Wuhan University (CN), Wuhan Center for Disease Control and Prevention (CN)
National Natural Science Foundation of China
Openalex Percentile: Top 8%
Computational Drug Discovery Methods
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