Design, Synthesis, Molecular Docking And Cytotoxic Activity Of New Ortho-Hydroxy Chalcone And Pyrazoline Derivatives
This study focused on the design and synthesis of new compounds with anticancer activity. The compounds were constructed using the structure-based drug design, focusing on their binding capabilities to the Colchicine (PDB code: IS AO) active site in a bidentate manner, with the most energetically...
| Main Author: | |
|---|---|
| Format: | Thesis |
| Language: | English |
| Published: |
2019
|
| Subjects: | |
| Online Access: | http://eprints.usm.my/62289/ http://eprints.usm.my/62289/1/Design%20synthesis%20molecular%20cut.pdf |
| _version_ | 1848884941883965440 |
|---|---|
| author | Luhaibi, Maadh Jumaah Owaid |
| author_facet | Luhaibi, Maadh Jumaah Owaid |
| author_sort | Luhaibi, Maadh Jumaah Owaid |
| building | USM Institutional Repository |
| collection | Online Access |
| description | This study focused on the design and synthesis of new compounds with anticancer
activity. The compounds were constructed using the structure-based drug
design, focusing on their binding capabilities to the Colchicine (PDB code: IS AO)
active site in a bidentate manner, with the most energetically preferable binding modes
using Autodock Vina 1.1.2 and Discovery studio 4.1. In the molecular docking
analysis, the binding energy and interactions between protein receptors and ligands
provide a better understanding of the biological functions to determine the amino acid
residues which are crucial to docking interactions. The modification and replacement
of the pyrazoline structure and chaicone led to the development of the structureactivity
relationship and identified potent and selective inhibitors of drug design. |
| first_indexed | 2025-11-15T19:14:43Z |
| format | Thesis |
| id | usm-62289 |
| institution | Universiti Sains Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-15T19:14:43Z |
| publishDate | 2019 |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | usm-622892025-05-23T03:25:53Z http://eprints.usm.my/62289/ Design, Synthesis, Molecular Docking And Cytotoxic Activity Of New Ortho-Hydroxy Chalcone And Pyrazoline Derivatives Luhaibi, Maadh Jumaah Owaid QD71-142 Analytical chemistry This study focused on the design and synthesis of new compounds with anticancer activity. The compounds were constructed using the structure-based drug design, focusing on their binding capabilities to the Colchicine (PDB code: IS AO) active site in a bidentate manner, with the most energetically preferable binding modes using Autodock Vina 1.1.2 and Discovery studio 4.1. In the molecular docking analysis, the binding energy and interactions between protein receptors and ligands provide a better understanding of the biological functions to determine the amino acid residues which are crucial to docking interactions. The modification and replacement of the pyrazoline structure and chaicone led to the development of the structureactivity relationship and identified potent and selective inhibitors of drug design. 2019-06 Thesis NonPeerReviewed application/pdf en http://eprints.usm.my/62289/1/Design%20synthesis%20molecular%20cut.pdf Luhaibi, Maadh Jumaah Owaid (2019) Design, Synthesis, Molecular Docking And Cytotoxic Activity Of New Ortho-Hydroxy Chalcone And Pyrazoline Derivatives. Masters thesis, Universiti Sains Malaysia. |
| spellingShingle | QD71-142 Analytical chemistry Luhaibi, Maadh Jumaah Owaid Design, Synthesis, Molecular Docking And Cytotoxic Activity Of New Ortho-Hydroxy Chalcone And Pyrazoline Derivatives |
| title | Design, Synthesis, Molecular
Docking And Cytotoxic Activity Of
New Ortho-Hydroxy Chalcone And
Pyrazoline Derivatives |
| title_full | Design, Synthesis, Molecular
Docking And Cytotoxic Activity Of
New Ortho-Hydroxy Chalcone And
Pyrazoline Derivatives |
| title_fullStr | Design, Synthesis, Molecular
Docking And Cytotoxic Activity Of
New Ortho-Hydroxy Chalcone And
Pyrazoline Derivatives |
| title_full_unstemmed | Design, Synthesis, Molecular
Docking And Cytotoxic Activity Of
New Ortho-Hydroxy Chalcone And
Pyrazoline Derivatives |
| title_short | Design, Synthesis, Molecular
Docking And Cytotoxic Activity Of
New Ortho-Hydroxy Chalcone And
Pyrazoline Derivatives |
| title_sort | design, synthesis, molecular
docking and cytotoxic activity of
new ortho-hydroxy chalcone and
pyrazoline derivatives |
| topic | QD71-142 Analytical chemistry |
| url | http://eprints.usm.my/62289/ http://eprints.usm.my/62289/1/Design%20synthesis%20molecular%20cut.pdf |