Establishing Novel Drug Leads of Monkeypox Viral Receptor Using High-Throughput Screening from Medicinal Herbs

DOI

10.2991/978-94-6463-294-1_10How to use a DOI?

Keywords

Monkeypox; Phytocompounds; Novel drug; Virus; Monkey

Abstract

Introduction

Monkeypox virus (MPV or MPXV), is a double- stranded DNA virus that is caused by the monkeypox virus, which comes from the family Poxviridae and genus Orthopoxvirus the name was given after isolating it from monkeys . It is oval like shaped structure with a outer membrane of lipoprotein. Its genome is approximately around 200kb long chain coding for approximately 200 proteins, it is similar to the smallpox virus with milder rash and lower mortality rate. It has two clades which was isolated and observed in Central Africa, where the strains are more virulent than the second clade that is Western Africa. Monkeypox is although a DNA viruses, they avoid the host cell’s nucleus completely, conducting all of their genome replication, transcription, translation and new virus assembly in the host cell cytoplasm.

Methodology

The FASTA/FASTQ sequence of the (gene: BR209) was 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 Ramchandran plot. Phytocompounds from medicinal plants like (Tinospora cordifolia, Aegle marmelos, Gmelina arborea, Oroxylum indicum, Premna serratifotia, Solanum indicum) was considered as novel drug leads is retrieved from PUBCHEM databases. The phytocompounds are checked for drug- like properties using molinspiration software. The compounds having so violations were considered for further docking studies.

Results

The phytocompounds having least docking score and most interactions is considered as the drug lead for Monkeypox virus. Further receptor ligand binding assay studies will be done to establish the compound 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  - Jimema Paul
AU  - Khan Rehan
AU  - Preenon Bagchi
PY  - 2023
DA  - 2023/11/17
TI  - Establishing Novel Drug Leads of Monkeypox Viral Receptor Using High-Throughput Screening from Medicinal Herbs
BT  - Proceedings of the International Conference on Advances in Nano-Neuro-Bio-Quantum (ICAN 2023)
PB  - Atlantis Press
SP  - 110
EP  - 121
SN  - 2468-5739
UR  - https://doi.org/10.2991/978-94-6463-294-1_10
DO  - 10.2991/978-94-6463-294-1_10
ID  - Paul2023
ER  -