Lusia S.P. Boli, Febdian Rusydi, Vera Khoirunisa, Adhitya Gandaryus Saputro, Muhammad Haris Mahyuddin, Kazunari Yoshizawa, Heni Rachmawati, Hermawan K. Dipojono
Linker length is one crucial factor affecting the free radical scavenging activity of curcumin. However, identifying an optimal linker length that maintains the desired activity remains challenging. This study offers a thermodynamic evaluation of the influence of linker length on free radical scavenging activity of curcumin, specifically through the hydrogen atom transfer mechanism, in water solvents. Our first-principles calculations reveal that both elongating and shortening the linker promotes a more favorable hydrogen atom transfer at the phenolic O-H and the C-H bond within the linker, respectively. Therefore, linker length should be considered in developing curcumin as a multifunctional medicine. ©Copyright Boli. This article is distributed under the termsoftheCreative Commons Attribution License, which permits unrestricted use and redistribution provided that the original author and source are credited.
Advanced Functional Materials Research Group, Faculty of Industrial Technology, Institut Teknologi Bandung, Bandung, 40132, Indonesia; Department of Physics, Faculty of Science and Technology, Universitas Airlangga, Surabaya, 60115, Indonesia; Research Center for Quantum Engineering Design, Faculty of Science and Technology, Universitas Airlangga, Surabaya, 60115, Indonesia; Department of Engineering Physics, Institut Teknologi Sumatera, Lampung Selatan, 35365, Indonesia; Research Center for Nanosciences and Nanotechnology, Institut Teknologi Bandung, Bandung, 40132, Indonesia; Institute for Materials Chemistry and Engineering, Kyushu University, Fukuoka, 819-0395, Japan; School of Pharmacy, Institut Teknologi Bandung, Bandung, 40132, Indonesia