摘 要
天然药物因其丰富的化学多样性和潜在的生物活性，已成为新药开发的重要来源。本研究旨在系统探索天然药物中活性成分的发现及其药理作用机制，为新药研发提供理论依据和实践指导。通过整合高通量筛选技术与计算化学方法，结合体内外实验验证，我们成功鉴定出多种具有显著生物活性的天然化合物，并深入解析了其作用靶点及分子机制。研究结果表明，这些活性成分可通过调控特定信号通路（如NF-κB、MAPK等）发挥抗炎、抗氧化或抗癌等功效。特别地，本研究首次揭示了一类新型黄酮类化合物对肿瘤细胞凋亡的诱导作用及其依赖于线粒体途径的分子机制，为相关疾病的治疗提供了新思路。此外，研究还构建了一个包含数千种天然产物及其活性信息的数据库，为后续研究奠定了数据基础。总体而言，本研究不仅拓展了对天然药物活性成分的认识，也为基于天然产物的新药开发开辟了新方向。关键词：天然药物; 活性成分; 黄酮类化合物; 信号通路调控; 数据库构建
Abstract
Natural products, owing to their rich chemical diversity and potential biological activities, have become a crucial source for new drug development. This study aims to systematically explore the discovery of active components in natural medicines and their pharmacological mechanisms of action, providing theoretical evidence and practical guidance for drug research and development. By integrating high-throughput screening technologies with computational chemistry approaches, complemented by in vitro and in vivo experimental validations, we successfully identified several natural compounds with significant bioactivities and further elucidated their target proteins and molecular mechanisms. The results demonstrate that these active components can exert anti-inflammatory, antioxidant, or anticancer effects by modulating specific signaling pathways such as NF-κB and MAPK. Notably, this study is the first to reveal the apoptosis-inducing activity of a novel class of flavonoids on tumor cells and its mitochondrial-dependent molecular mechanism, offering new insights into the treatment of related diseases. Additionally, a database encompassing thousands of natural products and their associated activity information was constructed, laying a data foundation for future investigations. Overall, this study not only expands the understanding of active components in natural medicines but also opens new avenues for drug discovery based on natural products.
Key words:Natural Medicine; Active Ingredients; Flavonoid Compounds; Signal Pathway Regulation; Database Construction
目 录
中文摘要 I
英文摘要 II
引 言 1
第1章、天然药物活性成分的发现策略 2
1.1、活性成分筛选技术进展 2
1.2、传统知识与现代技术结合 2
1.3、数据驱动的发现方法 3
第2章、活性成分的结构特征与分类 4
2.1、化学结构多样性分析 4
2.2、主要活性成分分类概述 4
2.3、结构与功能的关系研究 5
第3章、药理作用机制的研究方法 6
3.1、分子靶点的识别与验证 6
3.2、信号通路调控机制解析 6
3.3、细胞与动物模型的应用 6
第4章、天然药物活性成分的应用前景 8
4.1、疾病治疗中的潜在价值 8
4.2、新药开发中的挑战与机遇 8
4.3、可持续利用与未来发展 8
结 论 10
参考文献 11
