Investigation of the anti-TB potential of selected alkaloid constituents using a molecular docking approach
This thesis is submitted in partial fulfillment of the requirements for the degree of Bachelor of Pharmacy, 2019.
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| Idioma: | English |
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Brac University
2021
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| Acesso em linha: | http://hdl.handle.net/10361/14399 |
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10361-143992021-03-28T21:01:21Z Investigation of the anti-TB potential of selected alkaloid constituents using a molecular docking approach Zafroon, Zaira Siam, Mohammad Kawsar Sharif Department of Pharmacy, Brac University Mycobacterium Tuberculosis MtKasA MtPanK MtPknB MtDprE1 Alkaloids Tuberculosis--Treatment This thesis is submitted in partial fulfillment of the requirements for the degree of Bachelor of Pharmacy, 2019. Cataloged from PDF version of thesis report. Includes bibliographical references (pages 61-71). Mycobacterium tuberculosis, the leading bacterial killer disease worldwide, causes Human tuberculosis (TB). In this study, we used a molecular docking approach to investigate the interactions between selected alkaloids and proteins MtPanK, MtDprE1 and MtKasA involved in physiological functions which are necessary for the bacteria to survive and cause disease. The best docking scores indicates the highest ligand protein binding and specific interactions were studied to understand the nature of intermolecular bonds. Shermilamine B showed a docking score of -8.5kcal/mol which was higher than the standard TLM score. Brachystamide B showed a docking score of –8.6 kcal/mol which was higher than the standard ZVT score. Monoamphilectine A showed a score of -9.8kcal/mol which is higher than the standard score of 0T4.These three given compounds or alkaloids had given docking scores which were superior to the control inhibitors and represent the opportunity of in vitro biological evaluation and of anti-TB drug design. Zaira Zafroon B. Pharmacy 2021-03-28T05:58:29Z 2021-03-28T05:58:29Z 2019 2019-08 Thesis ID 15146109 http://hdl.handle.net/10361/14399 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. 71 pages application/pdf Brac University |
| institution |
Brac University |
| collection |
Institutional Repository |
| language |
English |
| topic |
Mycobacterium Tuberculosis MtKasA MtPanK MtPknB MtDprE1 Alkaloids Tuberculosis--Treatment |
| spellingShingle |
Mycobacterium Tuberculosis MtKasA MtPanK MtPknB MtDprE1 Alkaloids Tuberculosis--Treatment Zafroon, Zaira Investigation of the anti-TB potential of selected alkaloid constituents using a molecular docking approach |
| description |
This thesis is submitted in partial fulfillment of the requirements for the degree of Bachelor of Pharmacy, 2019. |
| author2 |
Siam, Mohammad Kawsar Sharif |
| author_facet |
Siam, Mohammad Kawsar Sharif Zafroon, Zaira |
| format |
Thesis |
| author |
Zafroon, Zaira |
| author_sort |
Zafroon, Zaira |
| title |
Investigation of the anti-TB potential of selected alkaloid constituents using a molecular docking approach |
| title_short |
Investigation of the anti-TB potential of selected alkaloid constituents using a molecular docking approach |
| title_full |
Investigation of the anti-TB potential of selected alkaloid constituents using a molecular docking approach |
| title_fullStr |
Investigation of the anti-TB potential of selected alkaloid constituents using a molecular docking approach |
| title_full_unstemmed |
Investigation of the anti-TB potential of selected alkaloid constituents using a molecular docking approach |
| title_sort |
investigation of the anti-tb potential of selected alkaloid constituents using a molecular docking approach |
| publisher |
Brac University |
| publishDate |
2021 |
| url |
http://hdl.handle.net/10361/14399 |
| work_keys_str_mv |
AT zafroonzaira investigationoftheantitbpotentialofselectedalkaloidconstituentsusingamoleculardockingapproach |
| _version_ |
1814308138837344256 |