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Inventi Impact: Molecular Modeling

Articles

  • Inventi:pmm/24056/17
    Synthesis, Biological Evaluation, and Molecular Docking Studies of Novel Isatin-Thiazole Derivatives\nas α-Glucosidase Inhibitors
    01-Jan-1970 Research 2017 : October - December
    Zhenzhen Xie, Guangcheng Wang, Jing Wang, Ming Chen, Yaping Peng, Luyao Li, Bing Deng, Shan Chen, Wenbiao Li

    A series of novel isatin-thiazole derivatives were synthesized and screened for their in vitro\n�±-glucosidase inhibitory activity. These compounds displayed a varying degree of �±-glucosidase\ninhibitory activity with IC50 ranging from 5.36 �± 0.13 to 35.76 �± 0.31 �¼m as compared to the standard\ndrug acarbose (IC50 = 817.38 �± 6.27 �¼m). Among the series, compound 6p bearing a hydroxyl\ngroup at the 4-position of the right phenyl and 2-fluorobenzyl substituent at the N1-positions of\nthe 5-methylisatin displayed the highest inhibitory activity with an IC50 value of 5.36 �± 0.13 �¼m.\nMolecular docking studies revealed the existence of hydrophobic interaction, CH-Ï� interaction,\narene-anion interaction, arene-cation interaction, and hydrogen bond between these compounds and\n�±-glucosidase enzyme.

    How to Cite this Article
    CC Compliant Citation: Wang, Guangcheng, et al. \"Synthesis, Biological Evaluation, and Molecular Docking Studies of Novel\nIsatin-Thiazole Derivatives as-Glucosidase Inhibitors.\" Molecules 22.4 (2017), doi:10.3390/molecules22040659, https://\ncreativecommons.org/licenses/by/4.0/.
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