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Synthesis, in vitro thymidine phosphorylase activity and molecular docking study of thiadiazole bearing isatin analogs
- Source :
- Chemical Papers. 76:213-224
- Publication Year :
- 2021
- Publisher :
- Springer Science and Business Media LLC, 2021.
-
Abstract
- A series of seventeen analogs (1─17) were synthesized and characterized through different spectroscopic techniques such as 1H, 13CNMR, HR-EI-MS and were evaluated for in vitro thymidine phosphorylase inhibition. All compounds showed excellent to good thymidine phosphorylase activity having IC50 value ranging between 4.10 ± 0.20 and 54.60 ± 1.40 µM when compared with standard drug 7-deazaxanthine (IC50 = 38.68 ± 1.12 µM). Among the series, compounds 1 (IC50 = 8.30 ± 0.30 µM), 6 (IC50 = 6.30 ± 0.10 µM), 11 (IC50 = 8.40 ± 0.30 µM) and 16 (IC50 = 4.10 ± 0.20 µM) were found more potent. Potent compounds were further subjected to molecular docking study to identify their interactions with the active site of amino acid. Structure activity relationship was done for all analogs mostly based on substitution pattern on phenyl and isatin rings.
- Subjects :
- chemistry.chemical_classification
biology
Stereochemistry
General Chemical Engineering
Thymidine phosphorylase activity
Isatin
Active site
General Chemistry
Biochemistry
Industrial and Manufacturing Engineering
In vitro
Amino acid
chemistry.chemical_compound
chemistry
Materials Chemistry
biology.protein
Structure–activity relationship
Thymidine phosphorylase
IC50
Subjects
Details
- ISSN :
- 25857290 and 03666352
- Volume :
- 76
- Database :
- OpenAIRE
- Journal :
- Chemical Papers
- Accession number :
- edsair.doi...........d45fa42c8334eb6779a0dab383d93d8a