In silico Analysis of Phytochemicals from Clove against Bronchitis
Sonupriya Sahu
Centurion University of Technology and Management, Odisha, India.
Ashok Kumar Sahoo
Centurion University of Technology and Management, Odisha, India.
Sitaram Swain
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
Bronchitis is an airborne disease, mostly caused by bacteria like Mycoplasma pneumonia and also by influenza virus. Due to hyper secretion and over production of mucus by goblet cells which leads to obstractle in airflow. This disease can be cured using (Syzygium aromaticum) clove extracts. Phytochemicals are secondary metabolites which are basically non-nutritive compounds but can protect from various diseases caused by microorganism. Bioactive compounds like Acetyl eugenol, Beta-caryophyllene and vanillin, crategolic acid, eugenin tannins, gallotannic acid, mrthyl salicylate (painkiller), flavonoids, kaempferol, rhamnetin, eugenitin, triterpenoid like oleanolic acid are found in clove extract. The enzyme and the phytochemicals were run using Biovia Discovery Studio and molecular docking was performed. By the help of -CDocker energy and -CDocker interaction energy the strength of the interaction was evaluated. The key enzyme involved in the biochemical pathway of mycoplasma pneumonia is Thymidine phosphorylase. High positive values for both the parameters indicated that out of different phytochemicals, Myricetin can interrupt the life cycle of Mycoplasma pneumonia spp. Effectively by deactivating the enzyme Thymidine phosphorylase (Pdb no 4LHM). The present study is to evaluate the action of phytochemicals present in clove (against brochitis diseases).
Keywords: Biovia, clove, discovery studio, phytochemicals.