SNDT WOMEN'S UNIVERSITY
BMK Knowledge Resource Centre
Vithaldas Vidyavihar, Juhu Tara Road,
Santacruz (West) Mumbai - 400049
IN SILICO BASED SCREENING EMPLOYED TO ASSESS THE ACTIVITY OF PHYTOCHEMICAL, SYNTHETIC AND MARINE COMPOUNDS ON THE SARSCOV-2 MAIN PROTEASE (Record no. 131123)
[ view plain ]
| 000 -LEADER | |
|---|---|
| fixed length control field | 01536nam a2200157 4500 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 250214b |||||||| |||| 00| 0 eng d |
| 082 ## - DEWEY DECIMAL CLASSIFICATION NUMBER | |
| Item number | P.23-33 |
| 100 ## - MAIN ENTRY--PERSONAL NAME | |
| Personal name | Lalitha G |
| 245 ## - TITLE STATEMENT | |
| Title | IN SILICO BASED SCREENING EMPLOYED TO ASSESS THE ACTIVITY OF PHYTOCHEMICAL, SYNTHETIC AND MARINE COMPOUNDS ON THE SARSCOV-2 MAIN PROTEASE |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | P.23-33 |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc. biblio.abstract | Our study focuses on screening ligands against the target 6Y2E using the iGemDock docking program, encompassing phytochemical, synthetic and marine sources, suggesting suitability for oral use against SARS-CoV-2 Main protease. Docking process involves iGemDock program for assessment, Argus Labs, for binding energy determination, Swiss ADME for evaluating pharmacological properties, and Chimera for visualizing interactions. Docking score gauges how effectively a ligand inhibits SARSCoV-2 Mpro, with compounds ranked based on their docking scores. Rosmarinic acid, a phytochemical compound, achieved a docking score of -117.629 and energy of -11.051. Remdesivir, a synthetic compound, attained a docking score of -118.091 and energy of -9.31522. Spongouridine, a marine compound, secured a docking score of -83.1317 and energy of -6.38, making them the top-ranked molecules in the docking process. |
| 654 ## - SUBJECT ADDED ENTRY--FACETED TOPICAL TERMS | |
| Subject | <a href="Binding efficacy ">Binding efficacy </a> |
| -- | <a href="SARS-CoV-2 ">SARS-CoV-2 </a> |
| -- | <a href="Rosmarinic acid ">Rosmarinic acid </a> |
| -- | <a href="remdesivir ">remdesivir </a> |
| -- | <a href="spongouridine ">spongouridine </a> |
| -- | <a href="drug design ">drug design </a> |
| 700 ## - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Sneha Suresh |
| 773 0# - HOST ITEM ENTRY | |
| Host Biblionumber | 125265 |
| Host Itemnumber | 109909 |
| 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__2333 | SNDT Juhu | SNDT Juhu | 14/02/2025 | P.23-33 | JP288.2 | 14/02/2025 | 14/02/2025 | Journal Article |