Abstract

1,5-Benzodiazepines are one of the important class of tranquilizers. The fusion of heterocyclic systems like coumarins and indolines with the benzodiazepine seems quite encouraging for the synthesis of derivatives with enhanced anti-anxiety property. The benzodiazepine derivatives containing fluorine were synthesized and studied for their anti-anxiety activity on mice using plus maze apparatus with sodium pentabarbitone as the standard. Compound with mono substituted fluorine showed comparable anti-anxiety activity with the standard. The docking studies with Translocator protein (TSPO) (PDB: 4UC2) were done and further supported by molecular dynamics simulations. The in vivo test results are in well agreement with docking and molecular dynamics simulation studies.

中文翻译：

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Spiro苯二氮卓替代氟香豆素作为有效的抗焦虑药

摘要

1,5-苯二氮卓类是镇静剂的重要类别之一。香豆素和二氢吲哚等杂环系统与苯并二氮杂的融合对于合成具有增强抗焦虑特性的衍生物而言似乎是令人鼓舞的。合成了含氟的苯二氮卓类衍生物，并以五巴比妥钠为标准，用正迷宫装置研究了它们对小鼠的抗焦虑活性。具有单取代氟的化合物显示出与标准品相当的抗焦虑活性。已经完成了与Translocator蛋白（TSPO）（PDB：4UC2）的对接研究，并得到了分子动力学模拟的进一步支持。体内测试结果与对接和分子动力学模拟研究非常吻合。