Exploring the potential of organic molecules in the treatment of covid-19
This thesis report is submitted in partial fulfillment of the requirement for the degree of Master of Science in Biotechnology, 2021.
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Brac University
2024
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10361-228292024-05-15T21:02:19Z Exploring the potential of organic molecules in the treatment of covid-19 Mondol, Winifred Claire Islam, Zubaida Marufee Department of Mathematics and Natural Sciences, Brac University Molecular docking Mpro SARS-CoV-2 COVID-19 treatment COVID-19 (Disease)--Complications--Treatment. Molecules--Models SARS (Disease) COVID-19 (Disease) This thesis report is submitted in partial fulfillment of the requirement for the degree of Master of Science in Biotechnology, 2021. Cataloged from PDF version of thesis. Includes bibliographical references (pages 24-38). The novel pathogen SARS-CoV2 causing coronavirus disease 2019 (COVID-19) is a global public health concern. COVID-19 has infected over 220 million people worldwide so far. The study and development of novel bioactive chemicals with cost-effective and selective anti- COVID 19 therapeutic power is the primary focus of contemporary medical research. As a result, utilizing the molecular docking technique has become critical in the discovery and development of novel medications. The purpose of this work is to investigate the binding affinity and type of interactions between 30 chemical molecules and Mpro using molecular docking. Using UCSFChimera, the PDB data of the target protein and prepared organic molecules (ligands) were docked using AutoDockVina, which provides a set of potential complexes based on the criteria of form complementarity of the natural molecules with their binding affinities. According to the results, hyperoside, aloin, and ginkgetin, were found to have a high affinity with Mpro. Hence, these chemicals have the potential to be used as therapeutics against SARS-CoV2. Winifred Claire Mondol M. Biotechnology 2024-05-15T04:24:22Z 2024-05-15T04:24:22Z ©2021 2021-09 Thesis ID 19176015 http://hdl.handle.net/10361/22829 en Brac University theses are protected by copyright. They may be viewed from this source for any purpose, but reproduction or distribution in any format is prohibited without written permission. 51 pages application/pdf Brac University |
institution |
Brac University |
collection |
Institutional Repository |
language |
English |
topic |
Molecular docking Mpro SARS-CoV-2 COVID-19 treatment COVID-19 (Disease)--Complications--Treatment. Molecules--Models SARS (Disease) COVID-19 (Disease) |
spellingShingle |
Molecular docking Mpro SARS-CoV-2 COVID-19 treatment COVID-19 (Disease)--Complications--Treatment. Molecules--Models SARS (Disease) COVID-19 (Disease) Mondol, Winifred Claire Exploring the potential of organic molecules in the treatment of covid-19 |
description |
This thesis report is submitted in partial fulfillment of the requirement for the degree of Master of Science in Biotechnology, 2021. |
author2 |
Islam, Zubaida Marufee |
author_facet |
Islam, Zubaida Marufee Mondol, Winifred Claire |
format |
Thesis |
author |
Mondol, Winifred Claire |
author_sort |
Mondol, Winifred Claire |
title |
Exploring the potential of organic molecules in the treatment of covid-19 |
title_short |
Exploring the potential of organic molecules in the treatment of covid-19 |
title_full |
Exploring the potential of organic molecules in the treatment of covid-19 |
title_fullStr |
Exploring the potential of organic molecules in the treatment of covid-19 |
title_full_unstemmed |
Exploring the potential of organic molecules in the treatment of covid-19 |
title_sort |
exploring the potential of organic molecules in the treatment of covid-19 |
publisher |
Brac University |
publishDate |
2024 |
url |
http://hdl.handle.net/10361/22829 |
work_keys_str_mv |
AT mondolwinifredclaire exploringthepotentialoforganicmoleculesinthetreatmentofcovid19 |
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