E-ISSN 2577-5669
 

Research Article 


Insilico Interaction of Selected Phytoalkaloids Against Oral Biofilm (Streptococcus Mutants) Drug Targets

Aishwarya. S, Dr. Lakshmi.

Abstract
Aim: The aim of this study is to determine the Insilico interaction of selected phytoalkaloids against oral biofilm (streptococcus mutants) drug targets.
Introduction: S. mutans has the ability to metabolize several carbohydrates into organic acids that reduce the pH of dental plaque biofilm, causing. the demineralization of tooth enamel and, consequently, leads to the initiation of dental caries. This bacterium is also a crucial contributor to the formation of a matrix of extracellular polymeric substances (EPS) on dental biofilms.Docking is the computational stimulation of candidate ligand binding to a receptor. In the field of molecular modeling, docking is a method which predicts the preferred orientation of one molecule to a second when bound to each other to form stable complex. Knowledge of the preferred orientation in turn may be used to predict the strength of association or binding affinity between two molecules using scoring functions.14-20
Materials and methods: Docking of phytoalkaloids of plants against Streptococcus mutants was done by ACD Chemsketch and GOLD protein ligand. ACD/ChemSketch is an advanced chemical drawing tool and is the accepted interface for the industry's best NMR and molecular property predictions, nomenclature, and analytical data handling software. GOLD is a program for calculating the docking modes of small molecules in protein binding sites and is provided as part of the GOLD Suite, a package of programs for structure visualisation and manipulation (Hermes), for protein-ligand docking (GOLD) and for post-processing (GoldMine) and visualisation of docking results. Hermes acts as a hub for many of CCDC's products, for more information please refer to the Hermes product page.
Result: Docking of different active compounds of plants such as Anethole, Ascorbic acid,Kampherol, Nerolidol were compared with Ellagic acid which is taken as a standard gold score using GOLD protein ligand software and their scores are 30.89,
28.29, 22.61, 30.26 respectively with standard gold score of Ellagic acid is 38.11. These scores were done based on the H bond distance between protein and ligand binding.
Conclusion: The compound anethole with GOLD score of 30.89 is most efficient in blocking biofilm formation when compared to other compounds.

Key words: Insilico, Interaction, drug, oral


 
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Pubmed Style

Aishwarya. S, Dr. Lakshmi. Insilico Interaction of Selected Phytoalkaloids Against Oral Biofilm (Streptococcus Mutants) Drug Targets. J Complement Med Res. 2020; 11(5): 64-67.


Web Style

Aishwarya. S, Dr. Lakshmi. Insilico Interaction of Selected Phytoalkaloids Against Oral Biofilm (Streptococcus Mutants) Drug Targets. http://www.jocmr.com/?mno=63704 [Access: March 22, 2021].


AMA (American Medical Association) Style

Aishwarya. S, Dr. Lakshmi. Insilico Interaction of Selected Phytoalkaloids Against Oral Biofilm (Streptococcus Mutants) Drug Targets. J Complement Med Res. 2020; 11(5): 64-67.



Vancouver/ICMJE Style

Aishwarya. S, Dr. Lakshmi. Insilico Interaction of Selected Phytoalkaloids Against Oral Biofilm (Streptococcus Mutants) Drug Targets. J Complement Med Res. (2020), [cited March 22, 2021]; 11(5): 64-67.



Harvard Style

Aishwarya. S, Dr. Lakshmi (2020) Insilico Interaction of Selected Phytoalkaloids Against Oral Biofilm (Streptococcus Mutants) Drug Targets. J Complement Med Res, 11 (5), 64-67.



Turabian Style

Aishwarya. S, Dr. Lakshmi. 2020. Insilico Interaction of Selected Phytoalkaloids Against Oral Biofilm (Streptococcus Mutants) Drug Targets. Journal of Complementary Medicine Research, 11 (5), 64-67.



Chicago Style

Aishwarya. S, Dr. Lakshmi. "Insilico Interaction of Selected Phytoalkaloids Against Oral Biofilm (Streptococcus Mutants) Drug Targets." Journal of Complementary Medicine Research 11 (2020), 64-67.



MLA (The Modern Language Association) Style

Aishwarya. S, Dr. Lakshmi. "Insilico Interaction of Selected Phytoalkaloids Against Oral Biofilm (Streptococcus Mutants) Drug Targets." Journal of Complementary Medicine Research 11.5 (2020), 64-67. Print.



APA (American Psychological Association) Style

Aishwarya. S, Dr. Lakshmi (2020) Insilico Interaction of Selected Phytoalkaloids Against Oral Biofilm (Streptococcus Mutants) Drug Targets. Journal of Complementary Medicine Research, 11 (5), 64-67.