Probing kojic acid binding to tyrosinase enzyme: insights from a model complex and QM/MM calculations.
نویسندگان
چکیده
An unambiguous picture of the interaction between the inhibitor kojic acid and a model of the dicopper active site of tyrosinase is reported. The observed binding mode probed on bacterial enzyme is confirmed and further refined by QM/MM calculations.
منابع مشابه
In vitro and in silico studies of the inhibitory effects of some novel kojic acid derivatives on tyrosinase enzyme
Objective(s): Tyrosinase is a key enzyme in pigment synthesis. Overproduction of melanin in parts of the skin results in hyperpigmentation diseases. This enzyme is also responsible for the enzymatic browning in fruits and vegetables. Thus, its inhibitors are of great importance in the medical, cosmetic and agricultural fields. Materials and Methods: A series of twelve kojic acid derivatives wer...
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Tyrosinase is a key enzyme for melanin biosynthesis, catalyzing the oxidation of L-tyrosine to L-dopaquinone. The tyrosinase inhibition is an effective approach to control hyperpigmentation in human skin and enzymatic browning in fruits and vegetables. Kojic acid is a naturally-occurring tyrosinase inhibitor which has been clinically used to treat the hyperpigmentation of skin. However, kojic a...
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Tyrosinase is a key enzyme in melanin production. Therefore, tyrosinase inhibitors are used in cosmetic and medicinal industries to prevent or treat overproduction of melanin such as melasma, solar lentigo and post inflammatory melanoderma. Due to safety of natural whitening agents, in the present study, in-vitro anti-tyrosinase and in-vivo anti-melanogenesis activities of some selected red mac...
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Tyrosinase is a key enzyme in melanin production. Therefore, tyrosinase inhibitors are used in cosmetic and medicinal industries to prevent or treat overproduction of melanin such as melasma, solar lentigo and post inflammatory melanoderma. Due to safety of natural whitening agents, in the present study, in-vitro anti-tyrosinase and in-vivo anti-melanogenesis activities of some selected red mac...
متن کاملCombined kinetic studies and computational analysis on kojic acid analogous as tyrosinase inhibitors.
Tyrosinase is a key enzyme in melanin synthesis and widely distributed in plants and animals tissues. In mammals, this enzyme is related to pigment production, involved in wound healing, primary immune response and it can also contribute to catecholamines synthesis in the brain. Consequently, tyrosinase enzyme represents an attractive and selective target in the field of the medicine, cosmetics...
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ورودعنوان ژورنال:
- Chemical communications
دوره 50 3 شماره
صفحات -
تاریخ انتشار 2014