In contemporary society, anxiety has become a widespread disorder leading to compromised well-being and heightened depressive states. Extensive literature reviews indicate the diverse biological effects of benzimidazole and piperazine derivatives, notably their impact on the central nervous system. This study aimed to design, molecularly dock, synthesize, and assess the anxiolytic potential of six derivatives of 2-(4-phenylpiperazin-1-yl)-1H-benz[d]imidazole and 2-(4-phenylpiperazin-1-methyl)-1H-benz[d]imidazole. In the present study, an attempt was made to synthesize benzimidazole derivatives conventionally. The benzimidazole nuclei are condensed with various substituted piperazines to obtain targeted benzimidazole–piperazine hybrids. Their anxiolytic activity is determined using the Elevated Plus Maze test and hole board test in mice. All compounds have shown good docking scores and in vivo anxiolytic activity. Out of all the derivatives synthesized, compounds 5b, 5c, and 5f exhibited outstanding anxiolytic efficacy in both computational simulations and live subjects. Compound 5b demonstrated a remarkable docking score relative to the ligand, suggesting its potential as a promising candidate warranting further exploration.

中文翻译：

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2-(4-苯基哌嗪-1-基)-1H-苯并[d]咪唑和2-(4-苯基哌嗪-1-甲基)-1H-苯并[d]咪唑衍生物的设计、合成和抗焦虑活性评价

在当代社会，焦虑已成为一种普遍的疾病，导致福祉受损和抑郁状态加剧。大量文献综述表明苯并咪唑和哌嗪衍生物具有多种生物效应，特别是它们对中枢神经系统的影响。本研究旨在设计、分子对接、合成和评估 2-(4-苯基哌嗪-1-基)-1H-苯并[d]咪唑和 2-(4-苯基哌嗪-1-甲基) 六种衍生物的抗焦虑潜力)-1H-苯并[d]咪唑。本研究尝试常规合成苯并咪唑衍生物。苯并咪唑核与各种取代的哌嗪缩合以获得目标苯并咪唑-哌嗪杂化物。它们的抗焦虑活性是通过小鼠的高架十字迷宫测试和洞板测试来确定的。所有化合物均显示出良好的对接分数和体内抗焦虑活性。在所有合成的衍生物中，化合物 5b、5c 和 5f 在计算模拟和活体受试者中均表现出出色的抗焦虑功效。化合物 5b 表现出与配体相关的显着对接分数，表明其作为有前途的候选者的潜力值得进一步探索。