FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2977462655> ?p ?o ?g. }

• W2977462655 endingPage "354" @default.
• W2977462655 startingPage "345" @default.
• W2977462655 abstract "Combating several pathological conditions associated with ureolytic enzyme (urease) remains a formidable challenge because of the lack of effective and safe drug therapies. In this regard, the development of potent inhibitors of urease could be considered as a promising remedy. Herein, we report a new library of structurally diverse hybrid heteroaromatics featuring coumarin and thiazolotriazole motifs in one combined unit. These new chemical scaffolds accessed through the integration approach were shown to inhibit the enzyme urease from jack bean at variable efficacies. An initial structure-activity relationship analysis guided through the variation of several functional groups at the aryl ring connected to the thiazole core revealed compound 6o (IC50 = 4.35 ± 0.18 µM) as the most potent inhibitor. The inhibitory strength of 6o was 5-fold compared to thiourea (standard; IC50 = 20.8 ± 0.59 µM). In the molecular docking analysis, 6o was stabilized in the active pocket through various binding interactions. The presence of an amino moiety at the meta position of the phenyl ring facilitates hydrogen bonding with the sulfhydryl group of Cys322 (2.11 Å) in addition to an interaction observed between the thiazole sulfur and nickel atoms present in the active site. Moreover, this amino group also interacts with the carbonyl oxygen of Ala366 at a distance of 2.75 Å. The chromenone moiety of compound 6o is stabilized by the side chains of various amino acid residues including Ala279, Thr301, Pro303, Thr304, His315 and Met367." @default.
• W2977462655 created "2019-10-10" @default.
• W2977462655 creator A5009409522 @default.
• W2977462655 creator A5013727977 @default.
• W2977462655 creator A5027601893 @default.
• W2977462655 creator A5032226045 @default.
• W2977462655 creator A5037735994 @default.
• W2977462655 creator A5076140757 @default.
• W2977462655 creator A5077494146 @default.
• W2977462655 creator A5091778180 @default.
• W2977462655 date "2020-01-01" @default.
• W2977462655 modified "2023-09-25" @default.
• W2977462655 title "Exploring biological efficacy of coumarin clubbed thiazolo[3,2–b][1,2,4]triazoles as efficient inhibitors of urease: A biochemical and in silico approach" @default.
• W2977462655 cites W1161204293 @default.
• W2977462655 cites W1533612797 @default.
• W2977462655 cites W1755603996 @default.
• W2977462655 cites W1912217738 @default.
• W2977462655 cites W1966485019 @default.
• W2977462655 cites W1966613176 @default.
• W2977462655 cites W1967340332 @default.
• W2977462655 cites W1971705557 @default.
• W2977462655 cites W1972727203 @default.
• W2977462655 cites W1975016127 @default.
• W2977462655 cites W1975844597 @default.
• W2977462655 cites W1980745484 @default.
• W2977462655 cites W1980855166 @default.
• W2977462655 cites W1985729069 @default.
• W2977462655 cites W1989437740 @default.
• W2977462655 cites W1990997141 @default.
• W2977462655 cites W1993594749 @default.
• W2977462655 cites W1995121918 @default.
• W2977462655 cites W1999571214 @default.
• W2977462655 cites W2000563232 @default.
• W2977462655 cites W2013474999 @default.
• W2977462655 cites W2028359846 @default.
• W2977462655 cites W2030136121 @default.
• W2977462655 cites W2034629146 @default.
• W2977462655 cites W2035271554 @default.
• W2977462655 cites W2038850962 @default.
• W2977462655 cites W2038873106 @default.
• W2977462655 cites W2044922312 @default.
• W2977462655 cites W2046588215 @default.
• W2977462655 cites W2051124828 @default.
• W2977462655 cites W2060518225 @default.
• W2977462655 cites W2060909518 @default.
• W2977462655 cites W2061505401 @default.
• W2977462655 cites W2064295651 @default.
• W2977462655 cites W2067998161 @default.
• W2977462655 cites W2069927990 @default.
• W2977462655 cites W2081289996 @default.
• W2977462655 cites W2088765063 @default.
• W2977462655 cites W2090070900 @default.
• W2977462655 cites W2103030313 @default.
• W2977462655 cites W2103697775 @default.
• W2977462655 cites W2116531314 @default.
• W2977462655 cites W2118171421 @default.
• W2977462655 cites W2129089785 @default.
• W2977462655 cites W2132376389 @default.
• W2977462655 cites W2137275362 @default.
• W2977462655 cites W2154708754 @default.
• W2977462655 cites W2175002826 @default.
• W2977462655 cites W2183929179 @default.
• W2977462655 cites W2189806805 @default.
• W2977462655 cites W2313625463 @default.
• W2977462655 cites W2317705390 @default.
• W2977462655 cites W2326418539 @default.
• W2977462655 cites W2329542764 @default.
• W2977462655 cites W2346274463 @default.
• W2977462655 cites W2403168519 @default.
• W2977462655 cites W2484368597 @default.
• W2977462655 cites W2484434874 @default.
• W2977462655 cites W2510927590 @default.
• W2977462655 cites W2586906352 @default.
• W2977462655 cites W2743861348 @default.
• W2977462655 cites W2766175459 @default.
• W2977462655 cites W2792021890 @default.
• W2977462655 cites W2798034035 @default.
• W2977462655 cites W2801499938 @default.
• W2977462655 cites W2803105592 @default.
• W2977462655 cites W2896776118 @default.
• W2977462655 cites W2922129109 @default.
• W2977462655 cites W2950378123 @default.
• W2977462655 cites W2951725785 @default.
• W2977462655 cites W774725516 @default.
• W2977462655 doi "https://doi.org/10.1016/j.ijbiomac.2019.09.105" @default.
• W2977462655 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31593727" @default.
• W2977462655 hasPublicationYear "2020" @default.
• W2977462655 type Work @default.
• W2977462655 sameAs 2977462655 @default.
• W2977462655 citedByCount "29" @default.
• W2977462655 countsByYear W29774626552020 @default.
• W2977462655 countsByYear W29774626552021 @default.
• W2977462655 countsByYear W29774626552022 @default.
• W2977462655 countsByYear W29774626552023 @default.
• W2977462655 crossrefType "journal-article" @default.
• W2977462655 hasAuthorship W2977462655A5009409522 @default.
• W2977462655 hasAuthorship W2977462655A5013727977 @default.
• W2977462655 hasAuthorship W2977462655A5027601893 @default.

• next