IN-SILICO MOLECULAR DOCKING ANALYSIS OF ISOLATED HOMOISOFLAVANONES FROM BULBS OF LEDABOURIA REVOLUTA AS GABAA RECEPTOR INHIBITORSAbstract
γ-Aminobutyric acid (GABA) is the major inhibitory neurotransmitter in the vertebrate central nervous system (CNS); it activates the GABAA receptors that play a role in epilepsy. Targeting GABAA receptors through specific enhancement of neuronal inhibition involving GABA can be a better mechanism for identification of novel antiepileptic drugs. In this report, screening of novel isolated homoisoflavanones from bulbs of Ledabouria revoluta against human GABRB3 active site using molecular docking studies. The docking analysis reveals the identification of leads with favorable binding energy and hydrogen bond interactions confirmed the effective modulation of the receptor. Based on the dock score and number of hydrogen bond interactions, compound 3 observed to be the most potent.
B. S. Veena and E. Sujatha *
Department of Botany, University College of Science, Osmania University, Hyderabad, Telangana, India.
29 December 2018
29 April 2019
11 May 2019
01 September 2019