抗酪氨酸酶4-单酰基间苯二酚的合成、评价及分子对接研究

Ade Danova, Yusuf Eka Maulana, Elvira Hermawati, Warinthorn Chavasiri
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摘要

酪氨酸酶是产生黑色素的关键酶,可以保护皮肤免受紫外线的伤害,从而导致皮肤癌。本研究合成了8个含长链碳(1-8)的酰基间苯二酚化合物,并通过1H和13C NMR进行了结构鉴定。对合成的8个化合物对酪氨酸酶的体外抑制活性进行了评价,结果表明,4-庚烷酰间苯二酚(6)对酪氨酸酶具有较高的抑制活性。此外,分子对接研究表明,6的结合能(-7.3 kcal/mol)低于曲酸(-6.9 kcal/mol),并与活性位点的关键残基相互作用。
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Synthesis, Evaluation, and Molecular Docking Study of 4-Monoacyl Resorcinol Against Tyrosinase Enzyme
Tyrosinase is a crucial enzyme in melanin production to protect the skin from ultraviolet, leading to skin cancers. This study synthesized eight compounds of acyl resorcinol with long-chain carbon (1-8) and structurally elucidated by 1H and 13C NMR. The in vitro evaluation of eight synthesized compounds against tyrosinase enzyme showed that 4-heptanoyl resorcinol (6) exhibited high inhibitory activity compared with the kojic acid as standard. In addition, the molecular docking study demonstrated that 6 showed lower binding energy (-7.3 kcal/mol) than kojic acid (-6.9 kcal/mol) and possessed interaction with crucial residues in the active site.
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