UNIVERSITY OF BUCHAREST
FACULTY OF PHYSICS

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2025-10-31 21:34
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Conference: Bucharest University Faculty of Physics 2015 Meeting


Section: Biophysics; Medical Physics


Title:
Agomelatine and its novel mechanism of action on 5-HT and SERT receptors in assessing depressive symptomatology


Authors:
Raluca NICULAE (1), Speranta AVRAM (2)


Affiliation:
(1,2) University of Bucharest, Faculty of Biology, Department of Anatomy and Human Physiology and Biophysics


E-mail
infopersonal.ro@gmail.com


Keywords:
agomelatine, escitalopram, molecular modeling


Abstract:
Background: In our research we determinated, through in silico predictions, the antidepressant efficacy of agomelatine on depression symptoms. Depression, one of the most prevalent diseases all over the world it is also a disease with a major impact on the mental and social lives of the individual. Depression is a disorder that dramatically increases mortality by associating with the physical disorders and high risk of suicide. Because of these issues there is a need of a correct diagnosis and appropriate treatment setting. Materials and Methods: As an investigative clinic tool we used targeted and systematic interview. Agomelatine and escitalopram molecules were designed, optimized and calculations were made by molecular modelling simulation. Results: Clinical results were obtained following the evolution of depressive symptoms as a primary effect of agomelatine action and pursuing in silico studies toxicity agomelatine as a secondary effect. Through molecular modeling studies we performed comparative calculations of molecular descriptors of 5-HT and SERT receptors and Ki and we have determined the efficacy of agomelatine compared to escitalopram. Conclusions: In this study, we found that patients treated with agomelatine has showed a decrease in the intensity of depressive symptoms. During the testing there were no side effects of treatment, which will result in potentially long-term treatment compliance. In this study we attempted a comprehensive approach, both psychological and pharmacological in silico.


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