In silico ANALYSIS OF PHYTOCHEMICALS FROM Coriandrum sativum AGAINST Cyclopropane-Fatty-Acyl-Phospholipid SYNTHASE OF Lactobacillus casei
GEETANJALI RANA
Centurion University of Technology and Management, Odisha, India.
SWATIPRAVA PANDA
Centurion University of Technology and Management, Odisha, India.
ABINASH MOHAPATRA
Centurion University of Technology and Management, Odisha, India.
MUKUNDJEE PANDEY *
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
Phytochemicals are non-nutritive compounds obtained from plants. It has been reported that Coriandrum sativum plant extract is used to cure tooth cavity. The plant extract contains different phytochemicals. Tooth cavity is caused by Lactobacillus casei. One of the key enzymes involved in its biochemical pathway is cyclopropane-fatty-acyl-phospholipid synthase. The molecular docking of the phytochemicals with the enzyme was studied using Biovia Discovery Studio. The strength of the interaction was evaluated based on -CDocker energy and -CDocker interaction energy. High positive values for both the parameters indicated that out of different phytochemicals petroselinic acid can effectively deactivate the cyclopropane-fatty-acyl-phospholipid synthase enzyme thereby interrupting the life cycle of Lactobacillus.
Keywords: Phytochemical, biovia, discovery studio, Coriandrum sativum, Lactobacillus sp.