Revealing analgesic and anxiolytic potentials of synthetic benzimidazole analogues: An in-vivo and in-silico study.

IF 0.7 4区 医学 Q4 PHARMACOLOGY & PHARMACY Pakistan journal of pharmaceutical sciences Pub Date : 2023-11-01
Shamim Akhtar, Sabahat Naeem, Nadia Asghar, Faisal Muhammad Khan, Moona Mehboob Khan, Arfa Akram, Imran Suheryani
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Abstract

Certain drugs have potential to affect and alter individual's behavior. On the other hand, pain is a complex phenomenon with various treatment options; analgesic medicines are the primary source. Therefore, this study was based on examining some of the benzimidazole analogues for their analgesic as well as behavioral potential following Tail immersion test and Open field test respectively. In addition, molecular docking was performed to find the interaction of these compounds with the active site using AutoDock Vina which was further visualized through Discovery Studio Visualizer. It was seen that the cyano-methyl benzimidazole derivatives (CMB1-CMB3) showed relief in pain as compared to benzimidazole derivatives (BI1-BI3), CMB2 demonstrated highly potent analgesic effect. Likewise, all structures except BI1 displayed increase locomotion during open field test and can be offered as anxiolytic compounds. Almost all derivatives showed improve binding energies for the tested proteins where the high analgesic action of CMB2 might be correlated to its high binding affinity and interaction at µOR. It was also noticed that all structures except BI showed possible binding interaction with GABAA receptor and hence possessed anxiolytic like potential. Thus, this study offered benzimidazole analogues for further drug development of analgesic and anxiolytic like compounds.

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揭示合成苯并咪唑类似物的镇痛和抗焦虑潜力:体内和微观研究
某些药物有可能影响和改变个人行为。另一方面,疼痛是一种复杂的现象,有多种治疗选择;镇痛药物是主要来源。因此,本研究对一些苯并咪唑类似物进行了研究,以了解它们分别在尾部浸泡试验和开阔地试验中的镇痛和行为潜力。此外,还使用 AutoDock Vina 进行了分子对接,以发现这些化合物与活性位点的相互作用,并通过 Discovery Studio Visualizer 进一步将其可视化。结果表明,与苯并咪唑衍生物(BI1-BI3)相比,氰基甲基苯并咪唑衍生物(CMB1-CMB3)具有缓解疼痛的作用,其中 CMB2 具有很强的镇痛效果。同样,除 BI1 外,所有结构的衍生物在开放场地测试中都显示出更强的运动能力,可用作抗焦虑化合物。几乎所有衍生物都显示出与受测蛋白质的较高结合能,其中 CMB2 的高镇痛作用可能与其在 µOR 上的高结合亲和力和相互作用有关。研究还注意到,除 BI 外,所有结构都可能与 GABAA 受体发生结合作用,因此具有类似抗焦虑的潜力。因此,这项研究为进一步开发镇痛和抗焦虑类化合物提供了苯并咪唑类似物。
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来源期刊
CiteScore
1.40
自引率
12.50%
发文量
211
审稿时长
4.5 months
期刊介绍: Pakistan Journal of Pharmaceutical Sciences (PJPS) is a peer reviewed multi-disciplinary pharmaceutical sciences journal. The PJPS had its origin in 1988 from the Faculty of Pharmacy, University of Karachi as a biannual journal, frequency converted as quarterly in 2005, and now PJPS is being published as bi-monthly from January 2013. PJPS covers Biological, Pharmaceutical and Medicinal Research (Drug Delivery, Pharmacy Management, Molecular Biology, Biochemical, Pharmacology, Pharmacokinetics, Phytochemical, Bio-analytical, Therapeutics, Biotechnology and research on nano particles.
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