Molecular Docking Insights of Newly Synthesized Schiff Base Monomers and Evaluating the Anticancer Activity of Their Polymers
Introduction The molecular docking technique has shown efficacy with small molecules but faces challenges when applied to macromolecules. To overcome this limitation, a focused approach targeting the active repeat units (monomers) of macromolecules was adopted. This study synthesized ten...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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Thieme Medical and Scientific Publishers Pvt. Ltd.
2023-10-01
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| Series: | Annals of the National Academy of Medical Sciences (India) |
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| Online Access: | http://www.thieme-connect.de/DOI/DOI?10.1055/s-0043-1777313 |
| _version_ | 1797372155984347136 |
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| author | A. Mohammed Ibrahim T.K. Shabeer |
| author_facet | A. Mohammed Ibrahim T.K. Shabeer |
| author_sort | A. Mohammed Ibrahim |
| collection | DOAJ |
| description |
Introduction The molecular docking technique has shown efficacy with small molecules but faces challenges when applied to macromolecules. To overcome this limitation, a focused approach targeting the active repeat units (monomers) of macromolecules was adopted. This study synthesized ten new dihydroxy Schiff base monomers (SBM1-SBM10) featuring azo moieties and alkoxy side groups. These were attached to human 3-alpha-hydroxysteroid dehydrogenase type 3 (4XO6), a protein linked to breast cancer, using molecular docking via the AutoDock tool. |
| first_indexed | 2024-03-08T18:31:46Z |
| format | Article |
| id | doaj.art-7862925d50b7442aac8d15360cb25da2 |
| institution | Directory Open Access Journal |
| issn | 0379-038X 2454-5635 |
| language | English |
| last_indexed | 2024-03-08T18:31:46Z |
| publishDate | 2023-10-01 |
| publisher | Thieme Medical and Scientific Publishers Pvt. Ltd. |
| record_format | Article |
| series | Annals of the National Academy of Medical Sciences (India) |
| spelling | doaj.art-7862925d50b7442aac8d15360cb25da22023-12-30T00:13:22ZengThieme Medical and Scientific Publishers Pvt. Ltd.Annals of the National Academy of Medical Sciences (India)0379-038X2454-56352023-10-01590421922410.1055/s-0043-1777313Molecular Docking Insights of Newly Synthesized Schiff Base Monomers and Evaluating the Anticancer Activity of Their PolymersA. Mohammed Ibrahim0https://orcid.org/0000-0003-2769-7605T.K. Shabeer1PG & Research Department of Chemistry, The New College, Affiliated to the University of Madras, Chennai, IndiaPG & Research Department of Chemistry, The New College, Affiliated to the University of Madras, Chennai, India Introduction The molecular docking technique has shown efficacy with small molecules but faces challenges when applied to macromolecules. To overcome this limitation, a focused approach targeting the active repeat units (monomers) of macromolecules was adopted. This study synthesized ten new dihydroxy Schiff base monomers (SBM1-SBM10) featuring azo moieties and alkoxy side groups. These were attached to human 3-alpha-hydroxysteroid dehydrogenase type 3 (4XO6), a protein linked to breast cancer, using molecular docking via the AutoDock tool.http://www.thieme-connect.de/DOI/DOI?10.1055/s-0043-1777313dockingmonomersanticancer activitypolymersbreast cancer |
| spellingShingle | A. Mohammed Ibrahim T.K. Shabeer Molecular Docking Insights of Newly Synthesized Schiff Base Monomers and Evaluating the Anticancer Activity of Their Polymers Annals of the National Academy of Medical Sciences (India) docking monomers anticancer activity polymers breast cancer |
| title | Molecular Docking Insights of Newly Synthesized Schiff Base Monomers and Evaluating the Anticancer Activity of Their Polymers |
| title_full | Molecular Docking Insights of Newly Synthesized Schiff Base Monomers and Evaluating the Anticancer Activity of Their Polymers |
| title_fullStr | Molecular Docking Insights of Newly Synthesized Schiff Base Monomers and Evaluating the Anticancer Activity of Their Polymers |
| title_full_unstemmed | Molecular Docking Insights of Newly Synthesized Schiff Base Monomers and Evaluating the Anticancer Activity of Their Polymers |
| title_short | Molecular Docking Insights of Newly Synthesized Schiff Base Monomers and Evaluating the Anticancer Activity of Their Polymers |
| title_sort | molecular docking insights of newly synthesized schiff base monomers and evaluating the anticancer activity of their polymers |
| topic | docking monomers anticancer activity polymers breast cancer |
| url | http://www.thieme-connect.de/DOI/DOI?10.1055/s-0043-1777313 |
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