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非磺酰胺苯并咪唑衍生的酰腙支架作为碳酸酐酶-II抑制剂的合成、生物活性评估及分子对接

Synthesis, Bioactivity Assessment, and Molecular Docking of Non-sulfonamide Benzimidazole-Derived -Acylhydrazone Scaffolds as Carbonic Anhydrase-II Inhibitors.

作者信息

Saadiq Muhammad, Uddin Ghias, Latif Abdul, Ali Mumtaz, Akbar Nazia, Ali Sardar, Ahmad Manzoor, Zahoor Mohammad, Khan Ajmal, Al-Harrasi Ahmed

机构信息

Institute of Chemical Sciences, University of Peshawar, Peshawar, Khyber Pakhtunkhwa 25120, Pakistan.

Department of Chemistry, University of Malakand, Dir (Lower), Chakdara, Khyber Pakhtunkhwa 18800, Pakistan.

出版信息

ACS Omega. 2021 Dec 20;7(1):705-715. doi: 10.1021/acsomega.1c05362. eCollection 2022 Jan 11.

DOI:10.1021/acsomega.1c05362
PMID:35036737
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8756595/
Abstract

This research reports the synthesis of new benzimidazole-derived -acylhydrazones (NAH), their characterization using various spectroscopic methods, and in vitro evaluation as potent carbonic anhydrase-II inhibitors. Among the target compounds (), few showed higher inhibition than the standard acetazolamide (IC: 18.6 ± 0.43 μM), for example, compound (IC: 13.3 ± 1.25 μM), (IC: 17.2 ± 1.24 μM), (IC: 14.6 ± 0.62 μM), and (IC: 14.5 ± 1.05 μM). Molecular docking was performed on the most active compounds, which revealed their binding interactions with the active site of the enzyme, thus supporting the experimental findings.

摘要

本研究报道了新型苯并咪唑衍生的酰腙（NAH）的合成、使用各种光谱方法对其进行的表征以及作为强效碳酸酐酶-II抑制剂的体外评估。在目标化合物中，少数化合物表现出比标准乙酰唑胺（IC：18.6±0.43μM）更高的抑制活性，例如化合物（IC：13.3±1.25μM）、（IC：17.2±1.24μM）、（IC：14.6±0.62μM）和（IC：14.5±1.05μM）。对活性最高的化合物进行了分子对接，揭示了它们与酶活性位点的结合相互作用，从而支持了实验结果。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e18d/8756595/90f9593e60e6/ao1c05362_0007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e18d/8756595/93201790ec98/ao1c05362_0008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e18d/8756595/9ba9a3273d43/ao1c05362_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e18d/8756595/021eea9d0c3c/ao1c05362_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e18d/8756595/45ca0289177b/ao1c05362_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e18d/8756595/4948b6ddf889/ao1c05362_0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e18d/8756595/2d6c550e58bb/ao1c05362_0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e18d/8756595/90f9593e60e6/ao1c05362_0007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e18d/8756595/93201790ec98/ao1c05362_0008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e18d/8756595/9ba9a3273d43/ao1c05362_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e18d/8756595/021eea9d0c3c/ao1c05362_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e18d/8756595/45ca0289177b/ao1c05362_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e18d/8756595/4948b6ddf889/ao1c05362_0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e18d/8756595/2d6c550e58bb/ao1c05362_0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e18d/8756595/90f9593e60e6/ao1c05362_0007.jpg

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