• AARSHA GANESH Department of Biotechnology, N.M.A.M Institute of Technology, Nitte, Karnataka, India.



Haemophilus influenzae, 3ZH5 protein, Murraya koenigii, phytocompounds


Objective: Haemophilus influenzae is a key contributor to meningitis, pneumonia, and sepsis-related illnesses and fatalities in children around the world during the pre-vaccine era (the early 1990s) and still continues to infect many individuals across the globe. This research examines various bioactive substances from plant sources for the prediction of the efficacy of the plant-based ligands to combat H. influenzae.

Methods: The present study implemented computational methods to assess the effectiveness of several phytochemicals toward the H. influenzae protein. The virtual screening tool PyRx was used to systematically perform molecular docking. To test the binding affinity with the H. influenzae protein 3ZH5, 10 phytocompounds were selected from Murraya koenigii based on the previous literature. Using ADMET filters, the pharmacological evaluation of the ligands was performed.

Results: The plant M. koenigii’s phytocompounds Mahanimbine, Murrayacinine, and Murrayazolinine were found to be the most effective antagonists for the protein 3ZH5, according to the docking data.

Conclusion: Due to their high affinity for the protein, all of these bioactive substances could be considered as deserving candidates for the suppression of H. influenzae.


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