Synthesis of Chromen-4-One-Oxadiazole Substituted Analogs as Potent β-Glucuronidase Inhibitors

Molecules

QamarUddin Ahmed¹  YasserA. Bamarouf¹  RaiKhalid Farooq¹  MuhammadNaseem Khan²  Fazal Rahim³  Muhammad Taha⁴  Mohammed Gollapalli⁵  SyedAdnan Ali Shah⁵  MohammedA. Alqahtani⁵  ZainulAmiruddin Zakaria⁶  Muhammad Ali⁷ 

[1] Information Technology, Imam Abdulrahman Bin Faisal University, P.O. Box 1982, Dammam 31441, Saudi Arabia;Department of Chemistry, COMSATS Institute of Information Technology, University Road, Abbottabad 22060, KPK, Pakistan;Department of Chemistry, Hazara University, Mansehra 21300, Khyber Pakhtunkhwa, Pakistan;Department of Clinical Pharmacy, Institute for Research and Medical Consultations (IRMC), Imam Abdulrahman Bin Faisal University, P.O. Box 1982, Dammam 31441, Saudi Arabia;;Department of Computer Information Systems, College of Computer Science &Department of Neuroscience Research, Institute for Research and Medical Consultations (IRMC), Imam Abdulrahman Bin Faisal University, P.O. Box 1982, Dammam 3144, Saudi Arabia;Natural and Medical Sciences Research Center, University of Nizwa, P.O. Box 33, Birkat Al Mauz, Nizwa 616, Sultanate of Oman;

关键词: chromen-4-one;    oxadiazole;    synthesis;    β-glucuronidase inhibition;    molecular docking;    SAR;   

DOI  :  10.3390/molecules24081528

来源: DOAJ

【 摘 要 】

Chromen-4-one substituted oxadiazole analogs 1–19 have been synthesized, characterized and evaluated for β-glucuronidase inhibition. All analogs exhibited a variable degree of β-glucuronidase inhibitory activity with IC₅₀ values ranging in between 0.8 ± 0.1–42.3 ± 0.8 μM when compared with the standard d-saccharic acid 1,4 lactone (IC₅₀ = 48.1 ± 1.2 μM). Structure activity relationship has been established for all compounds. Molecular docking studies were performed to predict the binding interaction of the compounds with the active site of enzyme.

【 授权许可】

Unknown