SNDT WOMEN'S UNIVERSITY
BMK Knowledge Resource Centre
Vithaldas Vidyavihar, Juhu Tara Road,
Santacruz (West) Mumbai - 400049
IN SILICO MOLECULAR DOCKING STUDIES OF COUMARIN-CHALCONE HYBRIDS AGAINST SARS-COV-2 MAIN PROTEASE (6LU7) (Record no. 131181)
[ view plain ]
| 000 -LEADER | |
|---|---|
| fixed length control field | 01614nam a2200157 4500 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 250220b |||||||| |||| 00| 0 eng d |
| 082 ## - DEWEY DECIMAL CLASSIFICATION NUMBER | |
| Item number | P.24-31 |
| 100 ## - MAIN ENTRY--PERSONAL NAME | |
| Personal name | Sathish K. Konidala |
| 245 ## - TITLE STATEMENT | |
| Title | IN SILICO MOLECULAR DOCKING STUDIES OF COUMARIN-CHALCONE HYBRIDS AGAINST SARS-COV-2 MAIN PROTEASE (6LU7) |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | P.24-31 |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc. biblio.abstract | The present work aimed to explore efficient lead molecules to combat against COVID-19. Despite the extensive usage of repurposed medications for COVID-19 therapy due to their inadequacy to proper control of endangered pandemic, there is an urgent need to discover innovative compounds that are very effective against the COVID-19 pandemic. Newly synthesized coumarin-chalcone hybrids were assessed for their efficacy to inhibit main protease 6LU7(Mpro) and compared it with some repurposing COVID-19 drug activity through in silico technique. Among all synthesized hybrids, d11, a11, c12, b11 and c5, showed highest binding affinities with the least docking score against protease (PDB ID: 6LU7) protein comparable to repurposed drugs currently used against COVID-19. The selected hybrids having coumarin, chalcone, and dihydropyridine pharmacophores are promising for their anti-COVID-19 activity. However, further extensive research is required through suitable in vitro and in vivo methods. |
| 654 ## - SUBJECT ADDED ENTRY--FACETED TOPICAL TERMS | |
| Subject | <a href="Coumarin-chalcone ">Coumarin-chalcone </a> |
| -- | <a href="main protease ">main protease </a> |
| -- | <a href="drugs repurposing ">drugs repurposing </a> |
| -- | <a href="hybrids">hybrids</a> |
| -- | <a href="SARS-CoV-2">SARS-CoV-2</a> |
| -- | <a href="molecular docking">molecular docking</a> |
| -- | <a href="6LU7">6LU7</a> |
| 700 ## - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Vijay Kotra |
| 773 0# - HOST ITEM ENTRY | |
| Host Biblionumber | 125265 |
| Host Itemnumber | 109707 |
| Place, publisher, and date of publication | Mumbai Indian Drugs Manufacturer's Association |
| Title | Indian Drugs |
| International Standard Serial Number | 0019-462X |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Koha item type | Journal Article |
| Withdrawn status | Lost status | Source of classification or shelving scheme | Damaged status | Koha normalized classification for sorting | Not for loan | Location (home branch) | Sublocation or collection (holding branch) | Date acquired | Koha issues (times borrowed) | Koha full call number | Piece designation (barcode) | Koha date last seen | Price effective from | Koha item type |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Dewey Decimal Classification | P__2431 | SNDT Juhu | SNDT Juhu | 20/02/2025 | P.24-31 | JP151.2 | 20/02/2025 | 20/02/2025 | Journal Article |