Simcyp® Discovery is a versatile tool designed to enhance decision-making during the pre-IND and translational stages of drug development. By leveraging physiologically-based pharmacokinetic (PBPK) modeling, this software enables researchers to answer critical “what if” questions without the need for costly and time-consuming clinical studies. Derived from the gold-standard Simcyp PBPK Simulator, Simcyp Discovery accelerates small molecule discovery and development, providing confidence in early-stage decision-making.
Simcyp® Discovery
创新的 PBPK 软件，支持筛选、首次人体试验剂量预测、早期 DDI 及制剂决策
用 Simcyp™ Discovery 革新 IND 前药物研发流程
机制性首次人体试验剂量预测
化合物筛选与研发管线优化
早期制剂模拟
药物相互作用筛选
临床前模型至人体药代动力学的转化
在研发流程早期更深入理解 PK/PD 关系
Simcyp™ Discovery 核心功能
Simcyp™ Discovery 包含人、小鼠、大鼠、犬和猴的 PBPK 模型，提供一系列专为药物发现与转化科学家量身定制的模型与模拟工具。
包含多种模型
- 最小化及完整 PBPK 模型
- 一室、二室、三房室模型
- 一级（FO）和先进溶出-吸收-代谢（ADAM）PBPK 模型
- 可在单一建模环境中对大鼠、小鼠、猴、犬及人体进行建模
DDI 计算器
- 基于已发布的监管指南，快速识别酶及转运体的早期 DDI 风险
- 包含基础（截断值）模型，如竞争性抑制、机制性抑制、诱导作用、转运体抑制及机制性静态相互作用模型
敏感性分析
- 使用自动化敏感性分析工具执行不同类型的敏感性分析
- 利用敏感性分析指导制剂开发，以确定改进制剂所需的策略，例如通过喷雾干燥分散体制剂提高溶解度，或通过微粉化减小粒径
PK 参数估算
- 基于参考制剂（如静脉注射、口服溶液等）的体内数据估算 PK 参数
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体验 Simcyp™ Discovery 的强大功能预约演示，了解 Simcyp™ Discovery 如何革新您的 IND 前药物开发流程。
增强早期决策信心
通过高通量筛选加速先导化合物鉴定
精准预测首次人体试验药代动力学
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Simcyp™ Discovery 常见问题解答
What is Simcyp Discovery and how does it help in drug discovery?
Simcyp provides a suite of PBPK modeling software that can be used throughout drug development, including three flagship products: Simcyp Simulator, Simcyp Biopharmaceutics, and Simcyp Discovery. Simcyp Discovery is tailored for small molecule discovery and translation scientists to support confident pre-IND decision-making. Key areas where Simcyp Discovery helps in drug discovery include first-in-human dose prediction, compound triage and pipeline optimization, early drug-drug interaction screening, and early formulation assessment.
What are the main features of Simcyp Discovery?
Key features of Simcyp Discovery include:
- Structure-based predictors to estimate key physicochemical properties directly from chemical structure
- Dose finding tool that supports dose selection to achieve predefined PK or PD targets
- Static DDI tool to quickly flag DDI risk against regulatory guidelines
- Variety of prebuilt models including mouse, rat, dog, and monkey as well as healthy volunteer human population
Simcyp™ Discovery 如何支持首次人体试验研究？
Simcyp™ Discovery 结合 PBPK 与 IVIVE 技术预测药代动力学及剂量，支持首次人体试验研究。
Simcyp™ Discovery 能否用于制剂筛选？
能。Simcyp™ Discovery 支持早期制剂筛选，以优化溶解度、粒径等关键参数。
How does Simcyp compare to other drug discovery tools?
Simcyp offers a continuous PBPK workflow across drug discovery and development. Early investment in PBPK modeling through Simcyp Discovery enables model reusability and scalability across development milestones. Derived from the industry-leading, EMA-qualified Simcyp Simulator, Simcyp Discovery provides peace of mind and supports seamless transition into clinical stages and regulatory submissions.
