Stability of Serotonin Transporter Essential Amino Acid Complex with Curcumin and Demethoxycurcumin Compounds as Antidepressant Candidates Based on In Silico Test

Abstract

A Depression is a mental problem that is common in all communities, including teenagers. It is estimated that 10-20% of teenagers in the world experience mental health problems. Turmeric at a dose of 560mg/KgBW was shown to be effective as an antidepressant in Wistar rats (rattus norvegicus). Computers offer in silico test methods as a complement to in vitro and in vivo methods which are commonly used in the process of discovering and developing the biological activity of chemical compounds or natural materials as drug candidates. The research results show that MD simulations on the serotonin transporter complex protein with the ligand Demethoxycurcumin are more stable than curcumin and fluvoxamine. The results of identifying the molecular dynamics determinant of binding with the native ligand are amino acid SER336 and the reference ligand is amino acid SER438.