Identification of Novel Bioactive Compounds from Banana Fruit (Musa sapientum) as Antidepressant in Pregnant Women: Molecular Docking, Physiochemical and ADMET Evaluation
K. R. Sharmili Banu *
Department of Gynaecology, Leonard Hospital, Batlagundu, Tamilnadu, India.
I. Mohana Priya
Department of Bioinformatics, School of Distance Education, Bharathiar University, Coimbatore, Tamilnadu, India.
A. S. Azar Zochedh
Department of Biotechnology, Kalasalingam Academy of Research and Education, Krishnankoil, Tamilnadu, India.
*Author to whom correspondence should be addressed.
Abstract
Mood disorder in women during pregnancy is a critical public issue. Generally, pregnancy and childbirth has major impact in the development of mental depression in women. There are many factors in which depression occur, such as post pregnancy depression after past deliveries, event of depression in the family, limited or lack of support by the partner and environment, unplanned pregnancy, pregnancy during young age, previous miscarriage, low level or lack of education and unemployment. Depression may occur due to the influence of estrogen and progesterone in the neurotransmitter system of serotonin, dopamine and norepinephrine. Banana plant (Musa sapientum) is known to be utilized in Indian folklore medication and Ayurveda for the treatment of various diseases. Various parts of banana plant consist of many bioactive compounds. In this current investigation, eighteen bioactive compounds were retrieved from banana fruit and docked against ER and PR using PyRx tool. From the eighteen bioactive compounds five bioactive compounds were chosen for further study based on the binding affinity. The predicted the physiochemical and ADMET properties were used to assess drug-likeness. According to the results campesterol, folic acid, quercetin, rutin and stigmasterol shown good molecular docking scores (> -8 Kcal/mol) and these compounds may be used a lead compounds to regulate ER and PR in the neurotransmitter system against depression in pregnant women.
Keywords: Depression, pregnancy, banana fruit, docking, drug-likeness