Pham The Hai, Ninh Bao Yen, Do Thi Nguyet Que, Le Thi Thu Huong, Nguyen Thi Huong Giang, Vu Duc Loi, Bui Thanh Tung

Main Article Content


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.


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


[1] AP. DeCaprio, The toxicology of hydroquinone--relevance to occupational and environmental exposure. Critical reviews in toxicology 29 (1999) 283.
[2] A. Yagi, et al. Inhibition of mushroom-tyrosinase by aloe extract. Planta medica 53 (1987) 515.
[3] Lê Thị Thu Hường, et al., Xây dựng mô hình toán học nhằm phát hiện hợp chất ức chế tyrosinase mới chỉ từ cấu trúc phân tử. Tạp chí Nghiên cứu Dược và Thông tin thuốc. Số 1 (2015) 6.
[4] FS. Senol, et al., In Silico Approach to Inhibition of Tyrosinase by Ascorbic Acid Using Molecular Docking Simulations. Current Topics in Medicinal Chemistry. 14 (2014)
[5] T. Masuda, et al. Screening for tyrosinase inhibitors among extracts of seashore plants and identification of potent inhibitors from Garcinia subelliptica. Bioscience biotechnology and biochemistry. 69 (2005) 197.
[6] DN. Lehninger và MC. Michael, Principle of biochemistry 4ed, W.H Freeman and Company, New York (2005) 202.
[7] Y-D. Park, et al., Complex Inhibition of Tyrosinase by Thiol-Composed Cu2+ Chelators: A Clue for Designing Whitening Agents. Journal of Biomolecular Structure and Dynamics. 24 (2006) 131.