新型苯并咪唑-吡唑复合物的合成、表征、抗溃疡作用及分子对接评价。

Q1 Chemistry
Abida Noor, Neelum Gul Qazi, Humaira Nadeem, Arif-Ullah Khan, Rehan Zafar Paracha, Fawad Ali, Adil Saeed
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引用次数: 34

摘要

合成了6个新型苯并咪唑-吡唑杂化分子,并采用元素分析(CHN)和光谱分析(1HNMR、FT-IR)对其进行了表征。用白化大鼠(体重180 ~ 220 g)进行体内抗溃疡活性评价。利用autodock vina 4.0进行分子对接研究,研究化合物与H+/K+ atp酶活性位点残基之间的相互作用。使用SCH28080对对接结果进行验证。根据Lipinski的五法则,利用Molinspiration服务器对这些化合物的药物可能性进行了预测。与奥美拉唑相比,这六种合成化合物均表现出更高的抗溃疡活性。这些新型杂交化合物在500µg/kg剂量水平下显示出72-83%的抗溃疡活性,而奥美拉唑在30 mg/kg剂量水平下显示出83%的抗溃疡活性。结果清楚地表明,这些新型苯并咪唑-吡唑复合物可提供一类潜在的抗溃疡药物,并可作为新的抗溃疡药物进一步研究。图解摘要苯并咪唑吡唑复合物的合成、硅和体内抗溃疡筛选综述。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Synthesis, characterization, anti-ulcer action and molecular docking evaluation of novel benzimidazole-pyrazole hybrids.

Synthesis, characterization, anti-ulcer action and molecular docking evaluation of novel benzimidazole-pyrazole hybrids.

Synthesis, characterization, anti-ulcer action and molecular docking evaluation of novel benzimidazole-pyrazole hybrids.

Synthesis, characterization, anti-ulcer action and molecular docking evaluation of novel benzimidazole-pyrazole hybrids.

A series of six novel benzimidazole-pyrazole hybrid molecules was synthesized and characterized using elemental analysis (CHN) and spectroscopic methods (1HNMR, FT-IR). All the synthesized compounds were evaluated for their in vivo anti ulcerogenic activity using Albino rats (weighing 180-220 g). The interactions between the compounds and active site residues of H+/K+ ATPase were investigated by molecular docking studies using autodock vina 4.0. SCH28080 was used to validate the docking results. Also the drug likeliness of these compounds was predicted using Molinspiration server in light of Lipinski's rule of five. All the six synthesized compounds exhibited higher anti-ulcer activity as compared to omeprazole. These novel hybrid compounds showed comparable anti-ulcer potential of 72-83% at dose level of 500 µg/kg, whereas omeprazole showed 83% anti-ulcer activity at dose level of 30 mg/kg. The results clearly indicate that these novel benzimidazole-pyrazole hybrids can present a new class of potential anti ulcer agents and can serve as new anti-ulcer drugs after further investigation. Graphical abstract An overveiw of synthesis, in silico and in vivo antiulcer screening of benzimidazole pyrazole hybrids.

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来源期刊
Chemistry Central Journal
Chemistry Central Journal 化学-化学综合
CiteScore
4.40
自引率
0.00%
发文量
0
审稿时长
3.5 months
期刊介绍: BMC Chemistry is an open access, peer reviewed journal that considers all articles in the broad field of chemistry, including research on fundamental concepts, new developments and the application of chemical sciences to broad range of research fields, industry, and other disciplines. It provides an inclusive platform for the dissemination and discussion of chemistry to aid the advancement of all areas of research. Sections: -Analytical Chemistry -Organic Chemistry -Environmental and Energy Chemistry -Agricultural and Food Chemistry -Inorganic Chemistry -Medicinal Chemistry -Physical Chemistry -Materials and Macromolecular Chemistry -Green and Sustainable Chemistry
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