Establishing Novel Drug Leads For Bubonic Plague Using In-Silico Approach

DOI

10.2991/978-94-6463-294-1_11How to use a DOI?

Keywords

Bubonic Plague; Yersinia pestis; Bioinformatics; Docking; Phytocompound

Abstract

Bubonic plague is an infection spread mostly to humans by infected fleas that feed on rodents which is also known as ‘Black death’. It killed millions of Europeans during the middles ages. Bubonic Plague is an infectious disease caused by a specific type of bacterium called Yersinia pestis. Which is also know as Y. pestis can affect humans spread mainly by fleas. Prevention doesn’t include a vaccine, but does involve reducing your exposure to mice, rats, squirrels and other animals that may be infected. The deaths exceeded 25 million people during the middle ages. The plague is rare now. Only a few thousand people around the world get it each year most of the cases are in Africa, India.

The FASTA sequence of the genes-receptors of the above disease were retrieved from Genbank database. Next, 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 Emblica Officinalis, Terminalia Chebula, Terminalia Bellirica, Asphaltum Punjabianum, Azadirachta Indica 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.

Thannilignan, Ellagic acid, Quercetin, Termilignan docks best with both the receptors. Hence these phytocompounds can be used as ligands for the Bubonic Plague.

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  - Pratik Dherange
AU  - Shraddha Lavhale
AU  - Preenon Bagchi
PY  - 2023
DA  - 2023/11/17
TI  - Establishing Novel Drug Leads For Bubonic Plague Using In-Silico Approach
BT  - Proceedings of the International Conference on Advances in Nano-Neuro-Bio-Quantum (ICAN 2023)
PB  - Atlantis Press
SP  - 122
EP  - 143
SN  - 2468-5739
UR  - https://doi.org/10.2991/978-94-6463-294-1_11
DO  - 10.2991/978-94-6463-294-1_11
ID  - Dherange2023
ER  -