Back to Search
Start Over
Solvothermal Synthesis of Multiple Dihydropyrimidinones at a Time as Inhibitors of Eg5
- Source :
- Molecules, Volume 26, Issue 7, Molecules, Vol 26, Iss 1925, p 1925 (2021)
- Publication Year :
- 2021
- Publisher :
- Multidisciplinary Digital Publishing Institute, 2021.
-
Abstract
- Solvothermal synthesis of multiple dihydropyrimidinones at a time has been developed in inexpensive and green bio-based solvent lactic acid without any additional catalysts or additives. By this method, thirty new dihydropyrimidinone derivatives were synthesized in two batches and characterized. All of the compounds were screened by Eg5 motor protein ATPase assay, and the positive compounds were tested against the Caco-2 cell line, HeLa cell line, L929 cell line and T24 cell line in vitro. Among them, compound C9 exhibited the best inhibitory activity against motor protein ATPase with an IC50 value of 30.25 μM and significant cytotoxic activity in the micromolar range against the cells above. The Lineweaver–Burk plot revealed that compound C9 was a mixed-type Eg5 inhibitor. A molecular modeling study using the Discovery Studio program was performed, where compound C9 exhibited good binding interaction with Eg5 motor protein ATPase, and this was consistent with the attained experimental results.
- Subjects :
- Molecular model
ATPase
Solvothermal synthesis
Pharmaceutical Science
Kinesins
Antineoplastic Agents
02 engineering and technology
Pyrimidinones
Article
Analytical Chemistry
HeLa
lcsh:QD241-441
03 medical and health sciences
chemistry.chemical_compound
Mice
Structure-Activity Relationship
0302 clinical medicine
lcsh:Organic chemistry
Cell Line, Tumor
Drug Discovery
Animals
Humans
Eg5 inhibitor
Physical and Theoretical Chemistry
Cell Proliferation
biology
Molecular Structure
dihydropyrimidinones
Chemistry
Organic Chemistry
021001 nanoscience & nanotechnology
biology.organism_classification
Combinatorial chemistry
Lactic acid
Solvent
Chemistry (miscellaneous)
Cell culture
030220 oncology & carcinogenesis
biology.protein
Molecular Medicine
solvothermal synthesis
Drug Screening Assays, Antitumor
0210 nano-technology
Discovery Studio
Protein Binding
Subjects
Details
- Language :
- English
- ISSN :
- 14203049
- Database :
- OpenAIRE
- Journal :
- Molecules
- Accession number :
- edsair.doi.dedup.....70d3d4df7bc3268332d6875b2754f0fe
- Full Text :
- https://doi.org/10.3390/molecules26071925