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- Title
SYNTHESIS, CHARACTERIZATION AND PREDICTION OF ANTICANCER POTENTIALITY OF SOME NOVEL GREEN NANOPARTICLES BY MOLECULAR DOCKING AND ADMET TECHNIQUES.
- Authors
Belwal, Savita; Saritha, R.; Sachdeva, Harshita; Kiran, Gangarapu
- Abstract
Anticancer potentiality of some newly synthesized Nano-Biginelli compounds with the help of enzyme extracted naturally from plants is reported. The biological synthesis of nanoparticles via nano biotechnology processes have a significant potential to enhance the production without the use of harsh, toxic, and expensive chemicals commonly used in conventional physical and chemical processes. The compounds have been characterized on the basis of UV, FTIR, XRD and SEM studies in order to depict the formation of nanoparticles. Using the combination of docking and ADMET techniques, we have tried to predict the anti-cancer potentiality as well as its area of target, i.e. cancer cell to trigger the anti-cancer reaction. Results indicate that the compound 1 (ethyl- 6-methyl-2-oxo-4-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-5-carboxylate) has possible virtual leads to design novel human Aurora B kinase inhibitor.
- Subjects
CHEMICAL processes; BIOSYNTHESIS; MOLECULAR docking; NANOPARTICLES; VIRTUAL design; KINASE inhibitors
- Publication
Bulletin of the Chemical Society of Ethiopia, 2019, Vol 33, Issue 3, p493
- ISSN
1011-3924
- Publication type
Article
- DOI
10.4314/bcse.v33i3.10