肾透明细胞癌（ccRCC）是一种常见的肾恶性肿瘤，迫切需要创新的治疗策略。在这种情况下，新兴研究重点探索了瑞木叶等植物的药用潜力。然而，其潜在治疗效果的复杂分子机制仍然尚不明了。我们的研究采用了整合方法，包括数据挖掘、网络药理学、组织细胞类型分析和分子建模方法，以确定R. stricta中具有潜在相关性的ccRCC治疗潜力的有效植物化学物质。首先，我们从公共数据库收集了关于R. stricta的植物化学信息。随后，我们将这些信息与由微阵列数据集（GSE16441、GSE66270和GSE76351）得出的ccRCC差异表达基因（DEGs）进行整合。我们确定了R. stricta与ccRCC靶点之间的潜在交集，从而使用Cytoscape软件构建了一个化合物-基因-通路网络。这有助于揭示R. stricta对ccRCC的多靶点药理作用。此外，组织细胞类型分析为了解肾脏潜在治疗靶点的细胞特异性提供了另一个洞察层面。通过进一步的Kaplan-Meier生存分析，我们确定了MMP9、ACE、ERBB2和HSP90AA1作为ccRCC潜在的诊断和预后生物标志物。值得注意的是，我们的研究强调了R. stricta中潜在的化合物-即quebrachamine、corynan-17-ol、stemmadenine、 strictanol、rhazinilam和rhazimolare，通过调节MMP9、ACE、ERBB2和HSP90AA1基因的活性来阻碍ccRCC的进展。此外，分子对接和动态模拟证实了这些化合物的合理结合亲和力。尽管有这些有希望的发现，我们认识到需要全面的体内和体外研究以进一步研究这些化合物的药代动力学和生物安全性。©2023年Elsevier Ltd. 版权所有。

Clear cell renal cell carcinoma (ccRCC) is a prevalent kidney malignancy with a pressing need for innovative therapeutic strategies. In this context, emerging research has focused on exploring the medicinal potential of plants such as Rhazya stricta. Nevertheless, the complex molecular mechanisms underlying its potential therapeutic efficacy remain largely elusive. Our study employed an integrative approach comprising data mining,network pharmacology,tissue cell type analysis, and molecular modelling approaches to identify potent phytochemicals from R. stricta, with potential relevance for ccRCC treatments. Initially, we collected data on R. stricta's phytochemical from public databases. Subsequently, we integrated this information with differentially expressed genes (DEGs) in ccRCC, which were derived from microarray datasets(GSE16441,GSE66270, and GSE76351). We identified potential intersections between R. stricta and ccRCC targets, which enabled us to construct a compound-genes-pathway network using Cytoscape software. This helped illuminate R. stricta's multi-target pharmacological effects on ccRCC. Moreover, tissue cell type analysis added another layer of insight into the cellular specificity of potential therapeutic targets in the kidney. Through further Kaplan-Meier survival analysis, we pinpointed MMP9,ACE,ERBB2, and HSP90AA1 as prospective diagnostic and prognostic biomarkers for ccRCC. Notably, our study underscores the potential of R. stricta derived compounds-namely quebrachamine,corynan-17-ol, stemmadenine,strictanol,rhazinilam, and rhazimolare-to impede ccRCC progression by modulating the activity of MMP9,ACE,ERBB2, and HSP90AA1 genes. Further, molecular docking and dynamic simulations confirmed the plausible binding affinities of these compounds. Despite these promising findings, we recognize the need for comprehensive in vivo and in vitro studies to further investigate the pharmacokinetics and biosafety profiles of these compounds.Copyright © 2023 Elsevier Ltd. All rights reserved.