원문정보
초록
영어
Lavender oil is a prolonged history in ancient medicine and has a wide range of biological effects. The lavender essential oil has 50 different constituents that have different therapeutic significance. The compounds that are separated from essential oil can be used for the anticancer treatment of non-small cell lung cancer. ROS1 is one of the major targets for NSCLC. The compounds from lavender essential oil are separated through GC-MS. From 91 compounds the top compounds that are having high retention values are taken for Molecular docking study against the ROS1 target protein. The binding affinity and the docked pose for those compounds are studied. Later, the chemical reactivity of the compounds is studied by Density Functional Theory. The potent compounds must be validated by in vivo study.
목차
1. Introduction
2. Materials and Method
2.1 GC-MS (Gas chromatography and mass spectrometry)
2.2 Preparation of Ligands and Target
2.3 Molecular Docking
2.4 Density functional theory:
3. Result and Discussion
3.1 GC-MS
3.2 Molecular docking
3.3 Density Functional Theory
4. Conclusion
Reference