COMPUTATIONAL APPROACHES OF NEW PERSPECTIVES IN THE
TREATMENT OF DEPRESSION DURING PREGNANCY
ANA-MARIA UDREA 1, ALIN PUIA 1*, SERGEY SHAPOSHNIKOV 2, SPERANȚA AVRAM 1
1Department of Anatomy, Animal Physiology and Biophysics, Faculty of Biology, University of Bucharest, 91-95 Splaiul
Independenței Street, 050095, Bucharest, Romania
2Norgenotech AS, 21 Gaustadalleen Street, 0349, Oslo, Norway
*corresponding author: alinro_90@yahoo.com
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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.

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