Abstract
A computational drug repurposing study of human endometriosis using single-cell RNA sequencing data (GSE179640, 47,957 endometrial biopsy cells, 29 endometriosis / 3 control samples). scVI batch correction resolved 31 Leiden clusters annotated as 10 cell types including stromal fibroblasts, endometrial epithelial cells, macrophages, NK cells, T cells, mast cells, smooth muscle, endothelial, B cells, and plasma cells. Wilcoxon differential expression (Endo vs Control) identified 500 significant genes dominated by a stromal fibroblast activation signature (COL1A1, FN1, SPARC, TAGLN). ChEMBL screening (pChEMBL≥6.0) across 184 druggable targets yielded 20,510 scored compounds; 20,117 confirmed novel via PubChem. Top candidates: CHEMBL5653589 (190.34, 18 targets), LESTAURTINIB (168.64, 16 targets), CHEMBL3752910 (118.90, 11 targets). Seven cross-disease watchlist compounds confirmed. CHEMBL5653589 ranks #1 across 8 independent Ritschel Research disease pipelines. Authors: Glen Charles Ritschel (Ritschel Research, Tega Cay SC) and Claude (Anthropic, San Francisco CA).
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Single-Cell Transcriptomic Identification of Drug Repurposing Candidates for Endometriosis via Endometrial Biopsy scRNA-seq
Authors/Creators
- 1. Ritschel Research
- 2. Anthropic
Description
A computational drug repurposing study of human endometriosis using single-cell RNA sequencing data (GSE179640, 47,957 endometrial biopsy cells, 29 endometriosis / 3 control samples). scVI batch correction resolved 31 Leiden clusters annotated as 10 cell types including stromal fibroblasts, endometrial epithelial cells, macrophages, NK cells, T cells, mast cells, smooth muscle, endothelial, B cells, and plasma cells. Wilcoxon differential expression (Endo vs Control) identified 500 significant genes dominated by a stromal fibroblast activation signature (COL1A1, FN1, SPARC, TAGLN). ChEMBL screening (pChEMBL≥6.0) across 184 druggable targets yielded 20,510 scored compounds; 20,117 confirmed novel via PubChem. Top candidates: CHEMBL5653589 (190.34, 18 targets), LESTAURTINIB (168.64, 16 targets), CHEMBL3752910 (118.90, 11 targets). Seven cross-disease watchlist compounds confirmed. CHEMBL5653589 ranks #1 across 8 independent Ritschel Research disease pipelines. Authors: Glen Charles Ritschel (Ritschel Research, Tega Cay SC) and Claude (Anthropic, San Francisco CA).
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