Discovery of Novel Inhibitors for HER2 from Natural Compounds Present in Cayratia trifolia (l.): An In silico Analysis
Authors/Creators
- 1. Department of Biochemistry & Bioinformatics, Karpagam University, Coimbatore, Tamil Nadu, India 641 021
Description
HER2 is an established therapeutic target primarily in breast, gastric and many other type of cancers. Its Inhibition process
suggests that, it could be a promising target for cancer. Therefore the main aim of the study is to identify the novel inhibitors
for HER2 from the natural compounds present in Cayratia trifolia. The natural compounds were selected from GC-MS
analysis of ethanolic extract of Cayratia trifolia.. Molecular docking studies were done to find the inhibitory activity
angainst HER2 and ADME properties also were predicted to find pharmacokinetics and pharmacodynamics of the selected
ligands. The docking analysis revealed that, the natural compounds of Ethyl Oleate, 4,8,12,16-Tetramethylheptadecan-4- olide and Heptacosanol has high inhibitory activities when compared with selected FDA approved drug and the ADME
properties also were acceptable range. Thus, based on the results it can be concluded that these natural compounds may act
as novel inhibitors for HER2 and its lead to drug development for variety of cancers
Abstract (English)
HER2 is an established therapeutic target primarily in breast, gastric and many other type of cancers. Its Inhibition process
suggests that, it could be a promising target for cancer. Therefore the main aim of the study is to identify the novel inhibitors
for HER2 from the natural compounds present in Cayratia trifolia. The natural compounds were selected from GC-MS
analysis of ethanolic extract of Cayratia trifolia.. Molecular docking studies were done to find the inhibitory activity
angainst HER2 and ADME properties also were predicted to find pharmacokinetics and pharmacodynamics of the selected
ligands. The docking analysis revealed that, the natural compounds of Ethyl Oleate, 4,8,12,16-Tetramethylheptadecan-4- olide and Heptacosanol has high inhibitory activities when compared with selected FDA approved drug and the ADME
properties also were acceptable range. Thus, based on the results it can be concluded that these natural compounds may act
as novel inhibitors for HER2 and its lead to drug development for variety of cancers
Files
IJCPR,Vol6,Issue3,Article3.pdf
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Additional details
Dates
- Accepted
-
2015-05-01