Date published: 2025-9-23

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CYP51A1 Inhibitors

CYP51A1 inhibitors form a distinct category of chemical compounds that target the CYP51A1 enzyme, a member of the cytochrome P450 superfamily. This enzyme, also known as lanosterol 14α-demethylase, plays a crucial role in the biosynthesis of sterols, specifically the conversion of lanosterol to ergosterol or cholesterol, which are fundamental components of cellular membranes in fungi and animals, respectively. Inhibition of CYP51A1 affects the sterol synthesis pathway by preventing the removal of the 14α-methyl group from lanosterol, leading to the accumulation of methylated sterol intermediates. This disruption in the production of vital sterols results in impaired cell membrane structure and function, as the proper sterol composition is critical for maintaining membrane fluidity and integrity. The inhibition mechanism is highly specific to the CYP51A1 enzyme, as these inhibitors are designed to bind with high affinity to the enzyme's active site, effectively outcompeting the natural substrate. By doing so, they alter the enzyme's conformation, making it unable to catalyze the demethylation step, which is a pivotal reaction in the sterol synthesis pathway.The specificity of CYP51A1 inhibitors is critical as it ensures the targeted and selective inhibition of the enzyme, which is particularly significant given the enzyme's conservation across different species. These inhibitors typically exhibit a high degree of specificity due to the unique structural characteristics of the CYP51A1 active site, which distinguishes it from other cytochrome P450 enzymes. The chemical structure of these inhibitors often includes azole rings, which coordinate with the heme iron in the active site of the enzyme, a feature that is key to their inhibitory action. As a result, the synthesis of ergosterol or cholesterol is halted, leading to a series of cellular disruptions due to the lack of essential sterols. The inhibition of CYP51A1, therefore, results in a blockade of the pathway at the demethylation step, emphasizing the role of these inhibitors in specifically targeting the sterol synthesis without affecting other enzymatic processes within the superfamily. This high level of specificity is pivotal in understanding the action of CYP51A1 inhibitors as it underlines the direct impact these compounds have on the sterol biosynthesis pathway by directly binding to and inhibiting a key enzyme exclusively involved in this process.

Items 1 to 10 of 13 total

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Product NameCAS #Catalog #QUANTITYPriceCitationsRATING

Voriconazole-d3

188416-29-7sc-220387
1 mg
$316.00
1
(1)

Voriconazole-d3 is a deuterated derivative that selectively interacts with CYP51A1, showcasing distinct binding dynamics due to its modified isotopic composition. This alteration can influence the enzyme's electron transfer processes and substrate specificity. The compound's unique steric properties may enhance its interaction with heme groups, potentially affecting the enzyme's catalytic efficiency and reaction kinetics. Additionally, Voriconazole-d3's lipophilicity may impact its solubility and distribution in biological systems.

Ketoconazole

65277-42-1sc-200496
sc-200496A
50 mg
500 mg
$62.00
$260.00
21
(1)

Ketoconazole is an azole antifungal that inhibits sterol 14α-demethylase, an enzyme encoded by the human CYP51A1 gene. Inhibition of this enzyme by Ketoconazole disrupts membrane structure and function in fungi, leading to cell death. In humans, CYP51A1 is involved in cholesterol biosynthesis, and its inhibition could decrease the production of mevalonate, a precursor for steroid synthesis.

Clotrimazole

23593-75-1sc-3583
sc-3583A
100 mg
1 g
$41.00
$56.00
6
(2)

Clotrimazole exhibits a unique affinity for CYP51A1, engaging in specific molecular interactions that modulate the enzyme's activity. Its structural conformation allows for effective binding to the heme moiety, influencing electron transfer rates and altering substrate recognition. The compound's hydrophobic characteristics enhance its interaction with lipid membranes, potentially affecting its distribution and bioavailability. These features contribute to its distinct kinetic profile in enzymatic reactions.

Cyproconazole

94361-06-5sc-205641
sc-205641A
5 g
10 g
$100.00
$142.00
2
(0)

Cyproconazole selectively interacts with CYP51A1, demonstrating a unique binding affinity that alters the enzyme's conformation. This interaction disrupts the normal catalytic cycle, impacting the enzyme's ability to process sterols. Its distinct molecular structure facilitates strong hydrophobic interactions, enhancing its stability in lipid environments. Additionally, Cyproconazole's kinetic behavior is characterized by a competitive inhibition mechanism, influencing substrate turnover rates and metabolic pathways.

Itraconazole

84625-61-6sc-205724
sc-205724A
50 mg
100 mg
$76.00
$139.00
23
(1)

Itraconazole functions similarly to Ketoconazole by inhibiting the CYP51A1 enzyme responsible for ergosterol synthesis in fungi and cholesterol synthesis in humans. Its binding to the heme group of the CYP51A1 enzyme results in the blockade of the enzyme's active site, preventing its normal activity.

Fenticonazole Nitrate

73151-29-8sc-394407
100 mg
$84.00
(0)

Fenticonazole Nitrate exhibits a selective affinity for CYP51A1, leading to significant alterations in the enzyme's active site dynamics. This compound engages in unique hydrogen bonding and hydrophobic interactions, which stabilize its binding and modulate enzymatic activity. Its kinetic profile reveals a non-competitive inhibition mechanism, effectively reducing the enzyme's turnover efficiency. The compound's structural features contribute to its distinct reactivity and interaction with lipid membranes, influencing its overall behavior in biological systems.

Fluconazole-d4

1124197-58-5sc-218490
1 mg
$398.00
(1)

Fluconazole-d4 acts as a potent modulator of CYP51A1, characterized by its ability to form specific interactions with the enzyme's heme group. This compound exhibits unique isotopic labeling, enhancing its detection in metabolic studies. Its binding affinity is influenced by conformational changes within the enzyme, leading to altered substrate accessibility. The compound's distinct isotopic signature allows for precise tracking in kinetic assays, providing insights into metabolic pathways and enzyme regulation.

Fluconazole

86386-73-4sc-205698
sc-205698A
500 mg
1 g
$53.00
$84.00
14
(1)

Fluconazole is a triazole antifungal that selectively inhibits fungal CYP51A1, which has a homologous function in cholesterol synthesis in humans. By targeting the enzyme's active site, Fluconazole disrupts the sterol biosynthesis pathway, which could conceivably affect cholesterol biosynthesis controlled by CYP51A1 in humans.

Posaconazole

171228-49-2sc-212571
1 mg
$353.00
7
(1)

Posaconazole is a selective inhibitor of CYP51A1, demonstrating a unique ability to disrupt the enzyme's catalytic cycle through competitive binding. Its structural conformation allows for strong interactions with the enzyme's active site, leading to significant alterations in substrate turnover rates. The compound's hydrophobic regions enhance its affinity for lipid membranes, influencing its distribution and interaction dynamics within biological systems. This behavior provides valuable insights into enzyme kinetics and metabolic regulation.

Epoxiconazole

106325-08-0sc-396078
5 g
$110.00
(0)

Epoxiconazole acts as a potent inhibitor of CYP51A1, characterized by its ability to form stable complexes with the enzyme. Its unique molecular structure facilitates specific hydrogen bonding and hydrophobic interactions, effectively altering the enzyme's conformation. This results in a marked decrease in ergosterol biosynthesis, impacting the overall metabolic pathway. The compound's lipophilic nature enhances its solubility in membrane environments, influencing its kinetic profile and interaction with cellular components.