Journal article
N-Aryl-3,4-dihydroisoquinoline Carbothioamide Analogues as Potential Urease Inhibitors

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Publication Details
Author list: Fayaz AliFayaz Ali, , Shahbaz Shamim, Mehreen Lateef, Khalid Mohammed Khan*, Muhammad Taha, Uzma Salar, Abdul Wadood, Ashfaq Ur Rehman, Noor Ul Ain Nawaz, and Shahnaz Perveen
Publisher: American Chemical Society: Open Access Titles / American Chemical Society
Publication year: 2021
Journal: ACS Omega
Journal name in source: ACS Omega
Volume number: 6
Issue number: 24
Start page: 15794
End page: 15803
Number of pages: 10
ISSN: 2470-1343
Web of Science ID: 000665649000028
PubMed ID: 34179623
Scopus ID: 85108533846
eISSN: 2470-1343

N-Aryl-3,4-dihydroisoquinoline carbothioamide analogues 1–22 were synthesized by a simple one-step reaction protocol and subjected to in vitro urease inhibition studies for the first time. All compounds 1–22 were found active and showed significant to moderate urease inhibitory potential. Specifically, analogues 1, 2, 4, and 7 were identified to be more potent (IC50 = 11.2 ± 0.81–20.4 ± 0.22 μM) than the standard thiourea (IC50 = 21.7 ± 0.34 μM). The structure–activity relationship showed that compounds bearing electron-donating groups showed superior activity. Molecular docking study on the most active derivatives revealed a good protein–ligand interaction profile against the corresponding target with key interactions, including hydrogen bonding, hydrophobic, and π-anion interactions.

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Last updated on 2021-08-11 at 11:55