Article(id=1308467640859648175, tenantId=1146029695717560320, journalId=1189982191388893191, issueId=1308467640138227885, articleNumber=null, orderNo=null, doi=10.16438/j.0513-4870.2025-0741, pmid=null, cstr=null, oa=null, hot=null, price=null, onlineType=0, articleFormat=0, articleType=null, articleTypeStr=null, receivedDate=1751212800000, receivedDateStr=2025-06-30, revisedDate=1753372800000, revisedDateStr=2025-07-25, acceptedDate=null, acceptedDateStr=null, onlineDate=1789892595734, onlineDateStr=2026-09-20, pubDate=1760198400000, pubDateStr=2025-10-12, doiRegisterDate=null, doiRegisterDateStr=null, onlineIssueDate=1789892595734, onlineIssueDateStr=2026-09-20, onlineJustAcceptDate=null, onlineJustAcceptDateStr=null, onlineFirstDate=null, onlineFirstDateStr=null, sourceXml=null, magXml=null, createTime=1789892595734, creator=13701087609, updateTime=1789892595734, updator=13701087609, issue=Issue{id=1308467640138227885, tenantId=1146029695717560320, journalId=1189982191388893191, year='2025', volume='60', issue='10', pageStart='2913', pageEnd='3262', issueExtLink='null', onlineDate='null', pubDate='1760198400000', pubDateStr='2025-10-12', beforeIssueId=null, nextIssueId=null, price=null, status=1, issueComplete=1, articleOrder=1, issueType=-1, specialIssue=null, createTime=1789892595562, creator='13701087609', updateTime=1789893273356, updator='13701087609', preIssue=null, nextIssue=null, articleTotal=null, ext={EN=IssueExt(id=1308470483071033443, tenantId=1146029695717560320, journalId=1189982191388893191, issueId=1308467640138227885, language=EN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=), CN=IssueExt(id=1308470483071033444, tenantId=1146029695717560320, journalId=1189982191388893191, issueId=1308467640138227885, language=CN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=)}, issueFiles=null, downloadFileDto=null}, startPage=2913, endPage=2917, ext={EN=ArticleExt(id=1308467641090334897, articleId=1308467640859648175, tenantId=1146029695717560320, journalId=1189982191388893191, language=EN, title=Enlightenment from Danggui Aloe Pills to the discovery of molecular glue, columnId=1190335349059588909, journalTitle=Acta Pharmaceutica Sinica, columnName=Professionals Forum, runingTitle=null, highlight=null, articleAbstract=

The target-based drug discovery (TBDD) alongside the resurgence of phenotypic drug discovery (PDD) constitute the dual-track paradigm for modern drug discovery. These two approaches are interactively applied and validated, accelerating the R&D of novel therapeutics. The microscopic structure of drugs (molecular structure and formulation properties) forms the basis for their macroscopic representations (pharmacological efficacy, physicochemical properties, adverse reactions, etc.), while these macroscopic properties represent the emergent characteristics arising from the interactions of microstructures. The applications of principles and techniques from molecular biology, biophysics, biochemistry, and analytical chemistry reveal the material essence and mechanisms of action at the micro-level, simultaneously mapping them onto various macro-level manifestations. Over three decades ago, the Chinese traditional medicines Danggui Lu Hui Wan (Angelica sinensis and Aloe Pill), investigated through phenotypic research, led to the development of meisoindigo for the treatment of chronic myeloid leukemia. Although its molecular target and mechanism of action were poorly understood at the time, it remains in clinical use today. Advances in science and technology have now enabled rigorous experimental design and execution, revealing meisoindigo's function as a molecular glue. It binds the target protein PKMYT1 while recruiting the E3 ligase TRIM25, forming a ternary complex that catalyzes the target protein's entry into the ubiquitin-proteasome system for degradation and functional loss. This micro-level elucidation explains its macro-level therapeutic efficacy. This article attempts to provide a concise commentary on this over-30-year R&D chain: "Danggui Lu Hui Wan → Indigo Naturalis → Indirubin → Meisoindigo → Molecular Glue, " aiming to bridge the gap between PDD and TBDD.

, authors=Zong-ru GUO^*, authorsList=Zong-ru GUO, authorCompany=null, correspAuthors=Zong-ru GUO, authorNote=null, correspAuthorsNote=null, copyrightStatement=Copyright ©2025 Acta Pharmaceutica Sinica. All rights reserved., copyrightOwner=null, extLink=null, articleAbsUrl=null, sourceXml=null, magXml=null, pdfUrl=null, pdf=null, pdfFileSize=null, pdfExtLink=null, richHtmlUrl=null, mobilePdfUrl=null, reviewReport=null, pdfFirstPage=null, abstractGraph=null, abstractGraphContent=null, abstractVideo=null, citation=null, cebUrl=null, magXmlContent=null, mapNumber=null, fund=null), CN=ArticleExt(id=1308467643070046406, articleId=1308467640859648175, tenantId=1146029695717560320, journalId=1189982191388893191, language=CN, title=从当归芦荟丸到发现分子胶的启示, columnId=1190335349206389552, journalTitle=药学学报, columnName=专家论坛, runingTitle=null, highlight=null, articleAbstract=

以靶标为主导的药物发现和基于表型研制的复兴, 构成了当今新药创制的双轨模式, 两种范式交互应用与验证, 加速着新药的研发。药物的微观结构(分子结构和制剂性状) 是宏观表象(药理效应、物化性质和不良反应等) 的基础; 而宏观性质又是微观结构的相互作用所呈现的整体性质。当今应用分子生物学、生物物理、生物化学和分析化学原理和技术, 揭示了微观层面的物质本质和作用机制, 可同步映射出宏观层面的各种表现。30多年前由中药复方当归芦荟丸经表型研究, 创制出治疗慢性粒细胞白血病药物甲异靛, 虽然分子靶标和作用机制不甚明了, 但至今仍在应用。随着科学技术的进步, 通过一系列严谨的实验设计和实施, 揭示了甲异靛的分子胶功能, 揭示出甲异靛结合靶标蛋白PKMYT1, 又招募E3连接酶微观内涵, 诠释了宏观疗效。本文试图对此事隔30余年的“当归芦荟丸→青黛→靛玉红→甲异靛→分子胶”研发链作一简要述评, 拉近表型研究与靶标主导的研究模式。

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