In silico ANALYSIS OF PHYTOCHEMICALS FROM LEMON GRASS AGAINST SHIKIMATE DEHYDROGENASE OF Staphylococcus aureus CAUSING SKIN DISEASE
SUNANYA DAS
Centurion University of Technology and Management, Odisha, India.
SUMAN KUMAR NANDA
Centurion University of Technology and Management, Odisha, India.
TRUPTIMAYEE RATH
Centurion University of Technology and Management, Odisha, India.
K. V. D. PRAKASH
Centurion University of Technology and Management, Odisha, India.
DIPANKAR BHATTACHARYAY *
Centurion University of Technology and Management, Odisha, India.
*Author to whom correspondence should be addressed.
Abstract
This analysis aims at evaluating the effects of Lemon Grass extract on Skin disease. Skin disease is caused by Staphylococcus aureus. The phytochemicals of Lemon Grass were interacted with shikimate dehydrogenase involved in phenyalanine, tyrosine and tryptophan biosynthesis metabolic pathways of Staphylococcus aureus. The enzyme was taken as receptor and phytochemicals were considered as ligands. All the interactions were done in Biovia discovery Studio 2020 and the process is known as molecular Docking. Molecular Docking provides us an opportunity to identify the potential phytochemical or component which can act as powerful tool against the pathogen. Out of all the phytochemicals, Furfural of Lemon grass inihibts or blocks the mechanism of action of Shikimate Dehydrogenase enzyme of S. aureus. There is high possibility that these phytochemicals can potentially inhibit others enzymes involved in various metabolic pathways of S. aureus.
Keywords: Phytochemical, biovia discovery studio 2020, lemon grass, metabolic pathways, skin disease, Staphylococcus aureus.