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- W4313458473 abstract "New antitubercular drugs are vital due to the spread of resistant strains. Carbethoxyhexyl imidazole (CHImi) inhibits cytochrome P450 CYP124, which is a steroid-metabolizing enzyme that is important for the survival of Mycobacterium tuberculosis in macrophages. The available crystal structure of the CYP124-CHImi complex reveals two glycerol molecules in the active site. A 1.15 Å resolution crystal structure of the glycerol-free CYP124-CHimi complex reported here shows multiple conformations of CHImi and the CYP124 active site which were previously restricted by glycerol. Complementary molecular dynamics simulations show coherence of the ligand and enzyme conformations. Spectrophotometric titration confirmed the influence of glycerol on CHImi binding: the affinity decreases more than tenfold in glycerol-containing buffer. In addition, it also showed that glycerol has a similar effect on other azole and triazole CYP124 ligands. Together, these data show that glycerol may compromise structural-functional studies and impede rational drug-design campaigns." @default.
- W4313458473 created "2023-01-06" @default.
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- W4313458473 date "2023-01-01" @default.
- W4313458473 modified "2023-10-14" @default.
- W4313458473 title "Structural insights into the effects of glycerol on ligand binding to cytochrome P450" @default.
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- W4313458473 cites W1494097251 @default.
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- W4313458473 cites W1935084074 @default.
- W4313458473 cites W1970424644 @default.
- W4313458473 cites W1986115510 @default.
- W4313458473 cites W1987628857 @default.
- W4313458473 cites W1989098471 @default.
- W4313458473 cites W1991067889 @default.
- W4313458473 cites W1994839139 @default.
- W4313458473 cites W2006533540 @default.
- W4313458473 cites W2009596922 @default.
- W4313458473 cites W2015447339 @default.
- W4313458473 cites W2017421343 @default.
- W4313458473 cites W2022981455 @default.
- W4313458473 cites W2029651104 @default.
- W4313458473 cites W2035472706 @default.
- W4313458473 cites W2041791898 @default.
- W4313458473 cites W2045589999 @default.
- W4313458473 cites W2069974072 @default.
- W4313458473 cites W2075903510 @default.
- W4313458473 cites W2084627980 @default.
- W4313458473 cites W2084737937 @default.
- W4313458473 cites W2086559674 @default.
- W4313458473 cites W2087313250 @default.
- W4313458473 cites W2098167941 @default.
- W4313458473 cites W2100748232 @default.
- W4313458473 cites W2102593999 @default.
- W4313458473 cites W2119585671 @default.
- W4313458473 cites W2122005836 @default.
- W4313458473 cites W2124026197 @default.
- W4313458473 cites W2126892663 @default.
- W4313458473 cites W2127130852 @default.
- W4313458473 cites W2128572087 @default.
- W4313458473 cites W2129809239 @default.
- W4313458473 cites W2131777290 @default.
- W4313458473 cites W2134201060 @default.
- W4313458473 cites W2136338050 @default.
- W4313458473 cites W2146411229 @default.
- W4313458473 cites W2149292832 @default.
- W4313458473 cites W2149655632 @default.
- W4313458473 cites W2154197653 @default.
- W4313458473 cites W2164044757 @default.
- W4313458473 cites W2313574335 @default.
- W4313458473 cites W2327829204 @default.
- W4313458473 cites W2332302292 @default.
- W4313458473 cites W2335026357 @default.
- W4313458473 cites W2410000196 @default.
- W4313458473 cites W2545727401 @default.
- W4313458473 cites W2555870966 @default.
- W4313458473 cites W2560709451 @default.
- W4313458473 cites W2622674337 @default.
- W4313458473 cites W263380825 @default.
- W4313458473 cites W2765322245 @default.
- W4313458473 cites W2778326339 @default.
- W4313458473 cites W2884147077 @default.
- W4313458473 cites W2893164682 @default.
- W4313458473 cites W2913105929 @default.
- W4313458473 cites W2929739320 @default.
- W4313458473 cites W2943717449 @default.
- W4313458473 cites W2961157157 @default.
- W4313458473 cites W2973457155 @default.
- W4313458473 cites W2981262188 @default.
- W4313458473 cites W3005677121 @default.
- W4313458473 cites W3037727402 @default.
- W4313458473 cites W3088639394 @default.
- W4313458473 cites W3093779824 @default.
- W4313458473 cites W3113553646 @default.
- W4313458473 cites W3137442437 @default.
- W4313458473 cites W3168035243 @default.
- W4313458473 cites W3211247846 @default.
- W4313458473 cites W4211196614 @default.
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- W4313458473 doi "https://doi.org/10.1107/s2059798322011019" @default.
- W4313458473 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36601808" @default.
- W4313458473 hasPublicationYear "2023" @default.
- W4313458473 type Work @default.