Gogoi Dipshikha, Kiewhuo Kikrusenuo, Chutia Hillul, Vaikundamani S, Sastry G Narahari, Mahanta Hridoy Jyoti
Advanced Computation and Data Sciences Division, CSIR-North East Institute of Science and Technology, Jorhat, 785 006, Assam, India; Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201 002, Uttar Pradesh, India.
Advanced Computation and Data Sciences Division, CSIR-North East Institute of Science and Technology, Jorhat, 785 006, Assam, India.
Comput Biol Med. 2025 Sep;196(Pt A):110760. doi: 10.1016/j.compbiomed.2025.110760. Epub 2025 Jul 11.
Medicinal plants have been the baseline of traditional medical practices across the globe. The traditional remedies practiced in India have been documented in ancient books from 5000 years BC. This study presents a systematic investigation of the phytochemical landscape of Indian polyherbal formulations curated from scientific literature. A total of 522 polyherbal formulations comprising 361 medicinal plants as ingredients and 5666 associated phytochemicals were explored. These phytochemicals were analyzed for their physicochemical properties, drug-likeness, pharmacokinetic and pharmacodynamic profiles, structural classification, and other relevant scientific parameters. Besides, for preserving correctness of contents for each formulation, their ingredients, ailments, and methods have been documented both in English and Sanskrit. Additionally, a network pharmacology-based analysis was conducted to explore disease mechanisms and interactions between formulations and medicinal plants, providing deeper insights into their therapeutic potential. The findings of this study have been digitally documented into a user-friendly database, allowing users to explore formulation names, ethnopharmacology features, medicinal plants, and the phytochemical space. We believe this repository will be a valuable resource to the scientific communities and researchers working on drug discovery and design using traditional knowledge.
药用植物一直是全球传统医学实践的基础。印度实行的传统疗法已记载于公元前5000年的古籍中。本研究对从科学文献中整理出的印度多草药配方的植物化学概况进行了系统研究。共探索了522种多草药配方，这些配方包含361种药用植物作为成分以及5666种相关植物化学物质。对这些植物化学物质的物理化学性质、类药性、药代动力学和药效学特征、结构分类以及其他相关科学参数进行了分析。此外，为确保每个配方内容的准确性，其成分、疾病和方法均已用英文和梵文记录。此外，还进行了基于网络药理学的分析，以探索疾病机制以及配方与药用植物之间的相互作用，从而更深入地了解它们的治疗潜力。本研究的结果已数字化记录到一个用户友好的数据库中，用户可以探索配方名称、民族药理学特征、药用植物和植物化学空间。我们相信这个知识库将成为利用传统知识进行药物发现和设计的科学界和研究人员的宝贵资源。
