TY - JOUR
T1 - Theoretical Insights into the Carbon Linker Length Effects on the Radical Scavenging Activity of Curcumin
AU - Boli, Lusia S.P.
AU - Rusydi, Febdian
AU - Khoirunisa, Vera
AU - Saputro, Adhitya Gandaryus
AU - Mahyuddin, Muhammad Haris
AU - Yoshizawa, Kazunari
AU - Rachmawati, Heni
AU - Dipojono, Hermawan K.
N1 - Publisher Copyright:
©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.
PY - 2024/1
Y1 - 2024/1
N2 - 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.
AB - 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.
KW - Curcumin linker length
KW - first-principles calculations
KW - multifunctional medicine
KW - radical scavenging activity
UR - http://www.scopus.com/inward/record.url?scp=85184900210&partnerID=8YFLogxK
U2 - 10.11113/mjfas.v20n1.3245
DO - 10.11113/mjfas.v20n1.3245
M3 - Article
AN - SCOPUS:85184900210
SN - 2289-599X
VL - 20
SP - 125
EP - 154
JO - Malaysian Journal of Fundamental and Applied Sciences
JF - Malaysian Journal of Fundamental and Applied Sciences
IS - 1
ER -