In silico Analysis of Phytochemicals from Glycyrrhiza glabra against Conjunctivitis
Shibani Sahoo, Swetanginee Gouda, Sunanya Das, Mukundjee Pandey, Dipankar Bhattacharyay
European Journal of Medicinal Plants · pp. 11–16 · Published 20 Mar 2020
10.9734/ejmp/2020/v31i530236Abstract
Phytochemicals are naturally occurring biologically active compounds found in plant parts such as roots, barks, leaves, seeds, and even pulps. It has been reported that Glycyrrhiza glabra plant extract is used for treatment of the disease conjunctivitis. The plant extract contains different phytochemicals. The agent that causes conjunctivitis is a gram positive bacterium which belongs to species Staphylococcus. One of the key enzymes involved in its biochemical pathway is Isocitrate dehydrogenase. 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 rosmarinic acid can effectively deactivate the is ocitrate dehydrogenase enzyme thereby inhibiting the life cycle of Staphylococcus.
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