EFFICACY OF Azadirachta indica ESSENTIAL OIL BIO-COMPOUNDS AGAINST csuE AMONG Acinetobacter baumannii - AN in-silico ANALYSIS
AMIT KUMAR SINGH
Saveetha Dental College and Hospital, Saveetha Institute of Medical and Technical Science, Saveetha University, Chennai, Tamil Nadu, India.
A. S. SMILINE GIRIJA
Department of Microbiology, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Saveetha University, Chennai, Tamil Nadu, India.
J. VIJAYASHREE PRIYADARSHINI
BRULAC-DRC, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences [SIMATS], Saveetha University, P. H. Road, Chennai, Tamil Nadu - 600077, India.
*Author to whom correspondence should be addressed.
Abstract
Introduction: Acinetobacter baumannii has become one of the most prominent pathogens which cause a wide range of serious infections, especially in intensive care units. csuE mediated biofilm formation plays a role in bacterial attachment to biotic and abiotic substrates. Biofilms are heterogeneous in vivo, comprising different microorganisms that interact with each other and form a complex multi-species community. Azadirachta indica (neem) is a world-renowned medicinal plant, having a long history of usage in various ailments in Indian traditional medical systems (Ayurveda, Unani, Tibetan), since time immemorial.
Material and Methods: Efficacy of compounds in A. indica essential oil against csuE was assessed using bioinformatics databases and tools like ramachandran validation and auto- docking system.
Results: Structure retrieval of the drug and the ligands were found to be promising. Drug ligand interactions showed the selected bioactive compounds of A. indica and control drugs of ceftazidime were effective against csuE producing A. baumannii. We found that imidazole-2-carboxylic acid, 4-methyl, and ethyl 6,8-difluro-4-hydroxyquinoline-3-carboxylate with csuE having strong hydrogen bonds and least binding energies.
Conclusion:Within the limitations of this study, we have found promising interaction between bioactive compounds of A. ndica and csuE genes of A. baumannii
Keywords: Acinetobacter baumannii, csuE, bio-film, Azadirachta indica, bio-active compounds.