Ragupathi, P (2019) Computational Characterization of Shikimate Kinase and Virtual Screening for Search of Novel Inhibitors. Masters thesis, J.K.K.Nattraja College of Pharmacy, Kumarapalayam.
|
Text
261203219ragupathi.pdf Download (5MB) | Preview |
Abstract
In the present study, a combined virtual screening utilizing ligand and structure-based screening approach has been used to search for novel shikimate kinase inhibitors. Here we are reporting 10 potential hit molecules based on the similarity search and molecular docking study. The selected 10 molecules showed favourable binding energy and interaction with the enzyme. These compounds can be further considered in-vitro testing. The approach opens up new avenues for identifying novel molecules as inhibitors of shikimate kinase and other kinase enzymes.
| Item Type: | Thesis (Masters) |
|---|---|
| Additional Information: | 261715201 |
| Uncontrolled Keywords: | Computational Characterization, Shikimate Kinase, Virtual Screening, Inhibitors |
| Subjects: | PHARMACY > Pharmaceutical Chemistry |
| Depositing User: | Ramakrishnan J |
| Date Deposited: | 13 May 2022 05:36 |
| Last Modified: | 13 May 2022 05:36 |
| URI: | http://repository-tnmgrmu.ac.in/id/eprint/20027 |
Actions (login required)
 |
View Item |
