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COMPARATIVE IN SILICO MOLECULAR DOCKING ANALYSIS OF SOPHOCARPINE AND CHELERYTHRINE ALKALOIDS FOR ANTIHERPES ACTIVITY (Record no. 131160)
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| 000 -LEADER | |
|---|---|
| fixed length control field | 01577nam a2200145 4500 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 250217b |||||||| |||| 00| 0 eng d |
| 082 ## - DEWEY DECIMAL CLASSIFICATION NUMBER | |
| Item number | P.74-76 |
| 100 ## - MAIN ENTRY--PERSONAL NAME | |
| Personal name | Thomas Kurian |
| 245 ## - TITLE STATEMENT | |
| Title | COMPARATIVE IN SILICO MOLECULAR DOCKING ANALYSIS OF SOPHOCARPINE AND CHELERYTHRINE ALKALOIDS FOR ANTIHERPES ACTIVITY |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | P.74-76 |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc. biblio.abstract | Herpes infection is considered a global health burden. Developing new therapeutic strategies for treating herpes is a challenging research problem. This study aimed to investigate and compare the potential antiviral activity of Sophocarpine and Chelerythrine alkaloids against Herpes Simplex Virus Type-1 thymidine kinase in the presence of acyclovir, an established antiviral drug. The study utilized PyRX docking and Auto Dock 4 softwares. The comparative analysis of the docking results showed that both Sophocarpine and Chelerythrine had promising binding affinities, indicating potential antiviral activity. A redocking experiment with acyclovir to test our molecular docking approach confirmed predicted binding modes, validating the reliability of this approach. This is a comparative study of results obtained by two different docking softwares. The results pave the way for further in vitro and in vivo investigation, providing a foundation for developing novel anti-herpes therapeutic agents. |
| 654 ## - SUBJECT ADDED ENTRY--FACETED TOPICAL TERMS | |
| Subject | <a href="Sophocarpine ">Sophocarpine </a> |
| -- | <a href="Chelerythrine ">Chelerythrine </a> |
| -- | <a href="thymidine kisase ">thymidine kisase </a> |
| -- | <a href="herpes ">herpes </a> |
| -- | <a href="PyRX ">PyRX </a> |
| -- | <a href="Auto dock ">Auto dock </a> |
| 773 0# - HOST ITEM ENTRY | |
| Host Biblionumber | 125265 |
| Host Itemnumber | 109908 |
| 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__7476 | SNDT Juhu | SNDT Juhu | 17/02/2025 | P.74-76 | JP287.8 | 17/02/2025 | 17/02/2025 | Journal Article |