2022
DOI: 10.1016/j.jmgm.2022.108238
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In silico selectivity modeling of pyridine and pyrimidine based CYP11B1 and CYP11B2 inhibitors: A case study

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Cited by 12 publications
(2 citation statements)
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“…In particular, while ( S ) - fadrozole potently inhibits CYP19A1 and CYP11B1 and has lower activity on CYP11B2, ( R ) - fadrozole is scarcely active on CYP19A1 and potently inhibits both CYP11B2 and CYP11B1 with no selectivity. This is an important aspect to emphasize in order to better evaluate the potential inhibitory activity of the benzylimidazole derivatives synthesized in this work (Figure ). In fact, compounds showing unselective inhibition of CYP11B2 and CYP11B1 might provide severe side effects, progressing to acute adrenal insufficiency and potentially fatal cardiovascular collapse . The compounds were synthesized using previously reported synthetic routes. The functionalized thioimidazole species were assembled through a multicomponent one-pot process based upon a Marckwald reaction .…”
Section: Resultsmentioning
confidence: 99%
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“…In particular, while ( S ) - fadrozole potently inhibits CYP19A1 and CYP11B1 and has lower activity on CYP11B2, ( R ) - fadrozole is scarcely active on CYP19A1 and potently inhibits both CYP11B2 and CYP11B1 with no selectivity. This is an important aspect to emphasize in order to better evaluate the potential inhibitory activity of the benzylimidazole derivatives synthesized in this work (Figure ). In fact, compounds showing unselective inhibition of CYP11B2 and CYP11B1 might provide severe side effects, progressing to acute adrenal insufficiency and potentially fatal cardiovascular collapse . The compounds were synthesized using previously reported synthetic routes. The functionalized thioimidazole species were assembled through a multicomponent one-pot process based upon a Marckwald reaction .…”
Section: Resultsmentioning
confidence: 99%
“…In fact, compounds showing unselective inhibition of CYP11B2 and CYP11B1 might provide severe side effects, progressing to acute adrenal insufficiency and potentially fatal cardiovascular collapse. 35 The compounds were synthesized using previously reported synthetic routes. 36−39 The functionalized thioimidazole species were assembled through a multicomponent one-pot process based upon a Marckwald reaction.…”
mentioning
confidence: 99%