COMPUTATIONAL APPROACH ON UNDERSTANDING STRUCTURAL INTERACTIONS OF ENVELOPE PROTEIN OF DENGUE VIRUS BOUND WITH SQUALENE, A PROTOTYPE ANTI -VIRAL COMPOUND (Record no. 11216)
[ view plain ]
| 000 -LEADER | |
|---|---|
| fixed length control field | a |
| 003 - CONTROL NUMBER IDENTIFIER | |
| control field | OSt |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20200213122019.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 200213b xxu||||| |||| 00| 0 eng d |
| 040 ## - CATALOGING SOURCE | |
| Original cataloging agency | AIKTC-KRRC |
| Transcribing agency | AIKTC-KRRC |
| 100 ## - MAIN ENTRY--PERSONAL NAME | |
| 9 (RLIN) | 12190 |
| Author | Chandrasekaran, Rajkuberan |
| 245 ## - TITLE STATEMENT | |
| Title | COMPUTATIONAL APPROACH ON UNDERSTANDING STRUCTURAL INTERACTIONS OF ENVELOPE PROTEIN OF DENGUE VIRUS BOUND WITH SQUALENE, A PROTOTYPE ANTI -VIRAL COMPOUND |
| 250 ## - EDITION STATEMENT | |
| Volume, Issue number | Vol.11(1) |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. | |
| Place of publication, distribution, etc. | M P |
| Name of publisher, distributor, etc. | Innovare Academic Sciences Pvt Ltd |
| Year | 2019 |
| 300 ## - PHYSICAL DESCRIPTION | |
| Pagination | 113-116p. |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc. | Objective: The objective of th e work was to validate the structural binding affinity of Squalene with the envelope protein of Dengue virus by means of molecular simulations. Method s: Three- dimensional (3D) structure of dengue 2 virus envelope protein was retrieved from Protein Data Ban k PDB and Squalene compound from the ZINC database. Molecular docking between the E protein and Squalene were carried out by means of Auto Dock 4.2. Result s: Based on the study, it was observed that the binding/docking energy for the complex structure was calculated to be -5.55 kcal/mol. Critical residues to interact with E protein were scrutinized by analyzing the interface of the complex within 4 Å proximity. Residues such as Thr 48, Glu49, Ala 50, Val 130, Leu 135, Ser 186, Pro 187, Thr 189, Gly 190, Leu 191, Phe 193, Leu 198, Leu 207, Thr 268, Phe 279, Thr 280, Gly 281, His 282 and Leu 283 were found to be non -covalently located around the squalene. Conclusio n: Scopes to design de novo anti -viral compounds to the dengue viruses by using squalene as a new class of template structure have also been concisely brought into fore. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| 9 (RLIN) | 4639 |
| Topical term or geographic name entry element | PHARMACEUTICS |
| 700 ## - ADDED ENTRY--PERSONAL NAME | |
| 9 (RLIN) | 12191 |
| Co-Author | Sivaraman, Thirunavukkarasu |
| 773 0# - HOST ITEM ENTRY | |
| Place, publisher, and date of publication | Bhopal Innovare Academic Sciences Pvt Ltd |
| Title | International journal of pharmacy and pharmaceutical science |
| International Standard Serial Number | 2656-0097 |
| 856 ## - ELECTRONIC LOCATION AND ACCESS | |
| URL | https://innovareacademics.in/journals/index.php/ijpps/article/view/29714/16558 |
| Link text | Click here |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Source of classification or shelving scheme | |
| Koha item type | Articles Abstract Database |
| Withdrawn status | Lost status | Source of classification or shelving scheme | Damaged status | Not for loan | Permanent Location | Current Location | Shelving location | Date acquired | Barcode | Date last seen | Price effective from | Koha item type |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| School of Pharmacy | School of Pharmacy | Archieval Section | 2020-02-13 | 2020946 | 2020-02-13 | 2020-02-13 | Articles Abstract Database |