Photoaffinity labeling (PAL) is one of the upcoming and powerful tools in the field of molecular recognition. It includes the determination of dynamic parameters, such as the identification and localization of the target protein and the site of drug binding. In this study, a photoaffinity-labeled probe for full-length human immunodeficiency virus-1 integrase (HIV-1 IN) capture was designed and synthesized, following the structure of the FDA-approved drug Raltegravir. This photoprobe was found to retain the HIV IN inhibitory potential in comparison with its parent molecule and demonstrates the ability to label the HIV-1 IN protein. Putative photoprobe/inhibitor binding sites near the catalytic site were then identified after protein digestion coupled to mass and molecular modeling analyses.

中文翻译：

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用于人类免疫缺陷病毒 1 整合酶捕获的基于 Raltegravir 的光亲和标记探针的开发

光亲和标记 (PAL) 是分子识别领域即将到来的强大工具之一。它包括动态参数的确定，例如目标蛋白的识别和定位以及药物结合位点。在这项研究中，按照 FDA 批准的药物 Raltegravir 的结构，设计并合成了一种用于全长人类免疫缺陷病毒 1 整合酶 (HIV-1 IN) 捕获的光亲和标记探针。发现该光探针与其母体分子相比保留了 HIV IN 抑制潜力，并证明了标记 HIV-1 IN 蛋白的能力。在蛋白质消化与质量和分子建模分析相结合后，然后确定催化位点附近的假定光探针/抑制剂结合位点。