- Synthesis, in vitro urease inhibitory activity, and molecular docking studies of thiourea and urea derivatives
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The current study deals with the synthesis of urea and thiourea derivatives 1–37 which were characterized by various spectroscopic techniques including FAB-MS, 1H-, and 13C NMR. The synthetic compounds were subjected to urease inhibitory activity and compounds exhibited good to moderate urease inhibitory activity having IC50 values in range of 10.11–69.80 μM. Compound 1 (IC50 = 10.11 ± 0.11 μM) was found to be most active and even better as compared to the standard acetohydroxamic acid (IC50 = 27.0 ± 0.5 μM). A limited structure–activity relationship (SAR) was established and the compounds were also subjected to docking studies to confirm the binding interactions of ligands (compounds) with the active site of enzyme.
- Bano, Bilquees,Kanwal,Khan, Khalid Mohammed,Lodhi, Arif,Salar, Uzma,Begum, Farida,Ali, Muhammad,Taha, Muhammad,Perveen, Shahnaz
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p. 129 - 144
(2018/06/20)
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- Unsymmetrically disubstituted urea derivatives: A potent class of antiglycating agents
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A series of unsymmetrically disubstituted urea derivatives 1-28 has been synthesized and screened for their antiglycation activity in vitro. Compounds 26 (IC50 = 4.26 ± 0.25 μM), 1 (IC50 = 5.8 ± 0.08 μM), 22 (IC50 = 4.26 ± 0.25 μM), 6 (IC50 = 6.4 ± 0.02 μM), 5 (IC50 = 6.6 ± 0.26 μM), 2 (IC50 = 7.02 ± 0.31 μM), 3 (IC50 = 7.14 ± 0.84 μM), 27 (IC50 = 7.27 ± 0.36 μM), 4 (IC50 = 8.16 ± 1.04 μM), 21 (IC50 = 8.4 ± 0.15 μM), 23 (IC50 = 9.0 ± 0.35 μM) and 13 (IC50 = 15.22 ± 6.7 μM) showed an excellent antiglycation activity far better than the standard (rutin, IC50 = 41.9 ± 2.3 μM). This study thus provides a series of potential molecules for further studies of antiglycation agents.
- Khan, Khalid M.,Saeed, Sumayya,Ali, Muhammad,Gohar, Madiha,Zahid, Javariya,Khan, Ambreen,Perveen, Shahnaz,Choudhary, M. Iqbal
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experimental part
p. 2447 - 2451
(2009/09/05)
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