Журнал протеомики и биоинформатики
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Exploration of Therapeutic Potential of Bacopa monnieri Using in silico Approach and Optimization of Culture Conditions for Bacoside Production

Anuja Koul, Munish Sharma, Shagun Sharma, Jyotsna Sharma, Vijeshwar Verma, Sharada Mallubhotla

Bacopa monnieri plant extract has been used as a nerve tonic in ancient Indian folklore since ages and bacosides are the main key component behind neuro-potential of the herb. Accumulated β-amyloid protein causes the
hyperphosphorylation of tau protein which in turn is the cause of tangled nerve projections in Alzheimer’s brain. However, the interaction of bacosides with amyloid protein has not been studied so far. Computational approach
including docking analysis showed hydrogen bonding of bacoside molecule with important amino acid residues present in amyloid protein which proved the potential of bacoside A3 in targeting Alzheimer’s. In addition to
this, in vitro culture conditions have demonstrated their critical influence on secondary plant metabolism. Kinetic studies conducted in our experiment showed that cell suspension cultures of bacopa placed under shaking light conditions produce more bacoside content as compared to other conditions. Besides these properties, bacopa plants have also been known to improve the chemical characteristics of saline and clayey soils thus, enhancing the growth of agriculturally important crops. In this work, we attempted the docking of the bacoside A3 molecule to find the binding mechanism with the suitable target which will be helpful in understanding the molecular mechanism involved in the development of Alzheimer’s disease. Up-scaling of memory enhancer bacoside molecule has also been attempted under in vitro conditions that should deliver maximum benefits with minimal tissue loss during harvestation.