Ade Danova, Elvira Hermawati, Warinthorn Chavasiri, Didin Mujahidin, Iqbal Musthapa, Fera Kurniadewi
Tyrosinase inhibitors are utilized as preservatives in the food industry and skin-lightening agents in the medical and cosmetic sectors. However, there has been little progress in clinical trials owing to challenges such as low bioavailability, significant skin irritation, and instability. Hence, the objective of this study was to evaluate the inhibitory activity of 3’,4’,5’-trimethoxychalcones through in vitro, molecular docking and molecular dynamics studies targeting tyrosinase. Five 3’,4’,5’-trimethoxychalcones (1-5) were evaluated their biological activity against tyrosinase for the first time. Compounds 4 and 5 were excellent inhibitory activity against tyrosinase with IC50 values of 1.9 and 1.7 μM compared with kojic acid and ascorbic acid. Isovanillin and catechol moieties are vital in this present study. This result was supported with molecular docking by shaping interaction in the catalytic site with histidine residues and the stability evaluation of the inhibitor-protein complexes using molecular dynamics simulation. The lipinski’s rules showed a fit with two potential inhibitors (4, 5). Therefore, 3’,4’,5’-trimethoxychalcones possessing isovanillin and catechol parts in the B ring are promising candidate for further study as tyrosinase inhibitors by evaluating their efficacy in vitro and in vivo. © 2025, Magister Program of Material Sciences, Graduate School of Sriwijaya University. All rights reserved.
Organic Chemistry Division, Department of Chemistry, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, West Java, Bandung, 40132, Indonesia; Center of Excellence in Natural Products Chemistry, Department of Chemistry, Faculty of Science, Chulalongkorn University, Pathumwan, Bangkok, 10330, Thailand; Chemistry Study Program, Faculty of Mathematics and Natural Science Education, Universitas Pendidikan Indonesia, West Java, Bandung, 40154, Indonesia; Chemistry Study Program, Universitas Negeri Jakarta, DKI Jakarta, Jakarta, 13220, Indonesia
Research at a Glance
Register to unlock
Topics & SDG Alignment
Register to unlock
Collaboration
Register to unlock
Author Profile (Selected)
Register to unlock
References Overview
Register to unlock
Journal & Source
Register to unlock
Metadata & Integrity
Register to unlock