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Updated: Sep 12, 2025

Determination of the Relative Potency of an Anti-TNF Monoclonal Antibody mAb by Neutralizing TNF Using an In Vitro Bioanalytical Method

Determination of the Relative Potency of an Anti-TNF Monoclonal Antibody mAb by Neutralizing TNF Using an In Vitro Bioanalytical Method

Published on: September 16, 2017

整合in silico和in vitro方法来识别潜在的TNF-α抑制剂

Manas Ranjan Barik¹, Mushtaq Ahmad Wani², Sweta³

¹Discovery Informatics Group, NPMC Division, CSIR-Indian Institute of Integrative Medicine, Jammu 180001, India; Academy of Scientific and Innovative Research (AcSIR), Ghaziabad 201002, India.

International journal of biological macromolecules

|August 7, 2025

概括

研究人员确定了抑制瘤坏死因子-α (TNF-α) 的天然化合物,这是炎症性疾病的关键驱动因素. 化合物IN00569和IN00007显示出作为向药物开发的抗炎药物的显著潜力.

科学领域:

自然产品化学自然产品化学
免疫学免疫学免疫学
计算化学的计算化学

背景情况:

瘤坏死因子-α (TNF-α) 是一种关键的促炎性细胞因子,与牛皮和类风湿性关节炎等自身免疫性疾病有关.
向TNF-α是管理炎症和自身免疫性疾病的重要治疗策略.

研究的目的:

通过虚拟查从自然化合物库中识别新型TNF-α抑制剂.
通过体外和体方法验证已识别的天然化合物的抗炎潜力.

主要方法:

针对TNF-α的内部自然化合物库的虚拟选.
分子对接和相似性搜索以优先考虑候选化合物.
在体外测定使用LPS刺激的RAW 264.7巨细胞来测量TNF-α分泌.
分子动力学模拟和MM/GBSA用于绑定验证.

主要成果:

通过虚拟查和相似性分析确定了13种潜在的TNF-α抑制化合物.
化合物IN00569和IN00007在体外显著降低了TNF-α分泌.
分子动态和MM/GBSA分析证实了IN00569和IN00007与TNF-α的结合稳定性和结合潜力.

结论:

自然化合物IN00569和IN00007通过抑制TNF-α具有强大的抗炎活性.
这些化合物代表了开发新的TNF-α向疗法的有希望的领先候选人.
基于天然产品的药物发现为抗炎药物开发提供了可行的策略.

关键词:

模拟MDMD的模拟分子对接是分子对接.这就是TNF-α.

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