InSilico structure based designing of dihydrofolate reductase enzyme antagonists and potential small molecules that target DHFR protein to inhibit the folic acid biosynthetic pathways
This project report is submitted in partial fulfilment of the requirements for the degree of Bachelor of Pharmacy, 2018.
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| Langue: | English |
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BRAC Univeristy
2018
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| Accès en ligne: | http://hdl.handle.net/10361/9824 |
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10361-98242019-09-30T04:54:19Z InSilico structure based designing of dihydrofolate reductase enzyme antagonists and potential small molecules that target DHFR protein to inhibit the folic acid biosynthetic pathways Hossain, Md. Sameer Siam, Mohammad Kawsar Sharif Department of Pharmacy, BRAC University DHFR This project report is submitted in partial fulfilment of the requirements for the degree of Bachelor of Pharmacy, 2018. Catalogued from PDF version of thesis. Includes bibliographical references (page 33-37). Cancer has several pathways by which it is developed in our body. Among them folic acid biosynthetic pathway is one where dihydrofolate reductase (DHFR) enzyme converts dihydrofolate into tetrahydrofolate which leads to unwanted and uncontrollable growth of tissues. Our aim of this study is to design DHFR antagonistic potential small molecules that inhibits Folic Acid Biosynthetic Pathways. In this study, Human DHFR obtained from Protein Data Bank (PDB) were docked with several established anticancer drugs including Afatinib, Doxorubicin, Trimetrexate, Curcumin & Trimethoprim and several potential small molecules including Acarbose, Adenosine monophosphate, Abacavir, Aceprometazine & Isoxyl; obtained from PubChem and Drug Bank respectively. PyMOL and PyRx were used to visualize, curate and dock. For validation purpose Discovery Studio and Ramachandran Plot were run. Results after docking showed best binding affinities of established anticancer drugs with Human DHFR throughout the generations for example Methotrexate to Trimethoprim. Potential small molecules which belong from different therapeutic classes. Md. Sameer Hossain B. Pharmacy 2018-04-08T07:03:36Z 2018-04-08T07:03:36Z 2018 2018-02 Project report ID 13346006 http://hdl.handle.net/10361/9824 en BRAC University project reports 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. 37 pages application/pdf BRAC Univeristy |
| institution |
Brac University |
| collection |
Institutional Repository |
| language |
English |
| topic |
DHFR |
| spellingShingle |
DHFR Hossain, Md. Sameer InSilico structure based designing of dihydrofolate reductase enzyme antagonists and potential small molecules that target DHFR protein to inhibit the folic acid biosynthetic pathways |
| description |
This project report is submitted in partial fulfilment of the requirements for the degree of Bachelor of Pharmacy, 2018. |
| author2 |
Siam, Mohammad Kawsar Sharif |
| author_facet |
Siam, Mohammad Kawsar Sharif Hossain, Md. Sameer |
| format |
Project report |
| author |
Hossain, Md. Sameer |
| author_sort |
Hossain, Md. Sameer |
| title |
InSilico structure based designing of dihydrofolate reductase enzyme antagonists and potential small molecules that target DHFR protein to inhibit the folic acid biosynthetic pathways |
| title_short |
InSilico structure based designing of dihydrofolate reductase enzyme antagonists and potential small molecules that target DHFR protein to inhibit the folic acid biosynthetic pathways |
| title_full |
InSilico structure based designing of dihydrofolate reductase enzyme antagonists and potential small molecules that target DHFR protein to inhibit the folic acid biosynthetic pathways |
| title_fullStr |
InSilico structure based designing of dihydrofolate reductase enzyme antagonists and potential small molecules that target DHFR protein to inhibit the folic acid biosynthetic pathways |
| title_full_unstemmed |
InSilico structure based designing of dihydrofolate reductase enzyme antagonists and potential small molecules that target DHFR protein to inhibit the folic acid biosynthetic pathways |
| title_sort |
insilico structure based designing of dihydrofolate reductase enzyme antagonists and potential small molecules that target dhfr protein to inhibit the folic acid biosynthetic pathways |
| publisher |
BRAC Univeristy |
| publishDate |
2018 |
| url |
http://hdl.handle.net/10361/9824 |
| work_keys_str_mv |
AT hossainmdsameer insilicostructurebaseddesigningofdihydrofolatereductaseenzymeantagonistsandpotentialsmallmoleculesthattargetdhfrproteintoinhibitthefolicacidbiosyntheticpathways |
| _version_ |
1814308449945649152 |