Computational approaches of new perspectives in the treatment of depression during pregnancy

Abstract

Antidepressants and antipsychotics are drugs used in the treatment of neuropsychiatric disorders, but because they have side effects on new-borns their use is not recommended during pregnancy. Natural compounds represent an innovative opportunity for the management of depression, but the molecular mechanisms on brain membrane receptors are unknown. Our aims are to predict the binding affinities of melatonin, resveratrol, linalool and linalyl acetate at SERT (serotonin transporter), deeply involved in neuropsychiatric disorders mechanisms, their drug likeness, pharmacokinetics features and the transfer index (TI) through placenta by using QSAR (Quantitative Structure-Activity Relationship) and in silico ADMET (Absorption Distribution Metabolism Excretion Toxicity) techniques. Our study concluded that natural compounds represent promising drug candidates in the treatment of depression.