Indexing Metadata
Molecular Docking Study of Some Novel Combination of Tetrahydroimidazo[1,2-a]pyridine and Trizole Heterocyclics for Anti Staphylococcus Aureus |
| DUBLIN | CORE | METADATA ITEM | METADATA FOR THIS DOCUMENT |
| 1 | Title | Title of Document | Molecular Docking Study of Some Novel Combination of Tetrahydroimidazo[1,2-a]pyridine and Trizole Heterocyclics for Anti Staphylococcus Aureus |
| 2 | Creator | Author's name, affiliation, country | K. MURALI KRISHNA, P. LEKHA, P K. RAMAN and P. RAVEENDRA REDDY*
Department of Chemistry, Sri Krishna Devaraya University, Anantapuramu-515003, India
SVU College of Engineering, Sri Venkateswara University, Tirupati-517502, India
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| 3 | Subject | Dicipline(s) | Chemical Science |
| 3 | Subject | Keywords | Sortase, Docking, Staphylococcus, MVD software |
| 4 | Description | Abstract | Staphylococcus aureus is the most common cause of staph infections such as pneumonia, meningitis, osteomyelitis endocarditis, toxic shock syndrome (TSS) and septicemia. Sortase is an important protein involves in the membrane formation and shape determination in Staphylococcus aureus. We have measured the sortase content in control, Carrier control and experimental groups and found reduction in experimental groups. Using the 3-D structure of Sortase (PDB ID: 4O8L) from Staphylococcus aureus as target we evaluated the binding efficacy of inhibitors with MVD software. The inhibitor binding positions and affinities were determined using MVD scoring fitness functions. With this model, a flexible docking study of Sortase enzyme with derivatives was performed which showed best docking result. Our results may be helpful for further experimental investigations. |
| 5 | Publishers | Organizing agency, location | WWW Publications, India |
| 6 | Contributor | Sponsor(s) | - |
| 7 | Date | Date (YYYY-MM-DD) | - |
| 8 | Type | Status & genre | Peer-reviewed Article |
| 8 | Type | Type | |
| 9 | Formate | File Formate | PDF |
| 10 | Identifier | Uniform Resource Identifier | Click Here |
| 10 | Identifier | Digital Object Identifier | |
| 11 | Source | Journal/conference title; vol., no. (Year) | Chemical Science Transactions, Volume 5 , Number (3), (2016) |
| 12 | Lanuguage | English=en | en |
| 13 | Relation | Supp.files | |
| 14 | Coverage | | - |
| 15 | Copyright | Copyright and permissions | |
Chemical Science Transactions | Chem Sci Trans | CST | Online Chemistry Journal | Open Access
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