Structural Analysis of Burkholderia Pseudomallei (Melioidosis) Receptor and Finding Novel Drug Leads for the Receptor

DOI

10.2991/978-94-6463-294-1_8How to use a DOI?

Keywords

Melioidosis; Burkholderia pseudomallei; Whitmore’s disease; Bioinformatics; Docking; Phytocompound

Abstract

Melioidosis or Whitmore’s disease is caused by Burkholderia pseudomallei infection in humans. Burkholderia pseudomallei is the self-propelling bacteria that zooms around using its trusty flagellum, measuring a mere 2-5 micrometers in length and 0.4-0.8 micrometers in diameter. A human infection caused by Burkholderia pseudomallei is called melioidosis, which is also known as Whitmore’s disease. People and animals who have direct contact with soil or water that is contaminated with the bacterium B. pseudomallei can develop melioidosis. Treating melioidosis requires two stages: a strong initial phase of intravenous medication to combat the infection followed by a secondary phase to prevent any potential recurrence of the disease. Its mortality is 20 to 50% even with treatment. There are several major challenges facing vaccine research, including the limited efficacy of the vaccines in animal models, the difficulty in determining which method is most appropriate for administering vaccines to humans, and establishing human trials in endemic regions due to logistical and financial concerns. The methodology followed was, the FASTA/FASTQ sequence of the genes-receptors of the above disease were retrieved from SRA database to galaxy and the sequence quality was checked using FASTQC tool. Further, we modelled the 3D structure of the FASTA protein sequence using modeller. The best model was selected using Ramachandran plot. Phytocompounds from medicinal plants is considered Tragia involucrate, Cynanchum acidum, Aegle marmelos, Adhatoda vasica, Andrographis paniculata as considered as novel drug leads is retrieved from PUBCHEM database. The phytocompounds are checked for drug-like properties using molinspiration software. The compounds having no violations was considered for further docking studies. The phytocompounds - Caffeic acid, Anthracenedione, Vasicine, Xanthotoxol having least docking score & most interactions is considered as the drug lead for melioidosis. Further receptor ligand binding assay studies will be done to establish the compounds as drug for the above disease.

Copyright

© 2023 The Author(s)

Open Access

Open Access This chapter is licensed under the terms of the Creative Commons Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/), which permits any noncommercial use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license and indicate if changes were made.

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TY  - CONF
AU  - Rehan Khan
AU  - Jimema Paul
AU  - Preenon Bagchi
PY  - 2023
DA  - 2023/11/17
TI  - Structural Analysis of Burkholderia Pseudomallei (Melioidosis) Receptor and Finding Novel Drug Leads for the Receptor
BT  - Proceedings of the International Conference on Advances in Nano-Neuro-Bio-Quantum (ICAN 2023)
PB  - Atlantis Press
SP  - 87
EP  - 101
SN  - 2468-5739
UR  - https://doi.org/10.2991/978-94-6463-294-1_8
DO  - 10.2991/978-94-6463-294-1_8
ID  - Khan2023
ER  -