Peptaloid is the first dedicated database for peptide alkaloid molecules, a unique class of naturally derived compounds known for their structural diversity and significant biological activities. Despite their promising potential in drug discovery and therapeutic development, research on peptide alkaloids has been limited by the absence of a comprehensive and centralized resource. Fragmented data across various sources have posed a significant challenge, underscoring the need for a specialized database to facilitate more efficient research and application. Peptaloid addresses this critical gap by providing a database with over 161,000 peptide alkaloid entries, each detailed with structural, physicochemical, and pharmacological properties. By leveraging advanced computational tools and machine learning, Peptaloid generates ADMET profiles, aiding in identifying and optimizing therapeutic candidates. Designed for versatility, the database supports various applications beyond drug discovery, including ecology and material sciences. Peptaloid (as a specialized database for peptide alkaloids) will play a crucial role in innovation and collaboration across scientific disciplines. Peptaloid is accessible at https://peptaloid.niser.ac.in.

中文翻译：

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肽类化合物：用于探索肽生物碱的综合数据库


肽类生物碱是第一个专门用于肽类生物碱分子的数据库，肽类生物碱分子是一类独特的天然衍生化合物，以其结构多样性和重要的生物活性而闻名。尽管肽生物碱在药物发现和治疗开发方面具有广阔的潜力，但由于缺乏全面和集中的资源，对肽生物碱的研究一直受到限制。来自各种来源的碎片化数据构成了重大挑战，凸显了对专业数据库的需求，以促进更高效的研究和应用。Peptaloid 通过提供一个包含超过 161,000 个肽生物碱条目的数据库来解决这一关键差距，每个条目都详细说明了结构、物理化学和药理学特性。通过利用先进的计算工具和机器学习，Peptaloid 生成 ADMET 谱，帮助识别和优化候选治疗药物。该数据库专为多功能性而设计，支持药物发现以外的各种应用，包括生态学和材料科学。肽类化合物（作为肽生物碱的专门数据库）将在跨学科的创新和合作中发挥关键作用。Peptaloid 可在 https://peptaloid.niser.ac.in 处获得。