Articles Accepted

Glaucarubinone - A Lead molecule from Simarouba glauca as a potential drug candidate , an Insilico Study
by Ms. Suguna , 12 Oct 2022
Co-Author(s): Renuka Radhakrishnan,Jeya Jeyamani

Nature has always been a source of drug candidate. Since ancient times, people have been using plants and their metabolites for various medicinal purposes. Glaucaubinone is a group of quassinoids present in the family Simaroubaceae. Simarouba glauca, commonly known as Laxmitaru or the Paradise tree and grouped under the family Simaroubaceae, Glaucarubinone present in Simarouba glauca is known for its medicinal property. Molecular docking methods are widely used to study the drug-target interactions in order to understand the therapeutic action and to design new drug candidates with improved activities. The information generated from docking helps to get an insight into interactions of glaucarubinone with amino acid residues in the binding pockets of target proteins, and also to predict the binding affinities of ligands. With Molecular Dynamic Simulation the flexibility and the stability of the target proteins-glaucarubinone complex is confirmed.

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