Screening of Potential Tyrosinase Inhibitors using In Silico-In Vitro Approach

Abstract

Tyrosinase is an important molecular target involved in the formation of melanin pigments. Tyrosinase inhibitors can prevent the overproduction of melanin pigments; thereby helping to treat disorders associated with hyperpigmentation. Research into the substance that inhibits this enzyme is of great significance in medical and cosmetic science. In this study we integrated in silico and in vitro experiments for screening compounds that inhibit tyrosinase from the Spectrum Collection chemical database. As the results of in silico screening, 19 compounds were predicted to inhibit tyrosinase. Based on this result, four chemical compounds including dibenzoylmethane, 2,2 ',4'-trihydroxychalcon, 3,4-dimethoxycinnamic acid and acetosyringone were selected for in vitro evaluating the inhibition effect of tyrosinase. The results showed that 3,4-dimethoxycinnamic acid had the strongest inhibitory potency and inhibited tyrosinase under non-competitive mechanism.

Keyword

Tyrosinase; in silico; in vitro; QSAR; molecular docking

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