COMPUTATIONAL APPROACH ON UNDERSTANDING STRUCTURAL INTERACTIONS OF ENVELOPE PROTEIN OF DENGUE VIRUS BOUND WITH SQUALENE, A PROTOTYPE ANTI -VIRAL COMPOUND (Record no. 11216)
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| 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: <br/>The objective of th<br/>e work was to validate the structural binding affinity of Squalene with the envelope protein of Dengue virus by<br/> means <br/>of molecular simulations.<br/>Method<br/>s: <br/>Three-<br/>dimensional (3D) structure of dengue 2 virus envelope protein was retrieved from<br/> Protein Data Ban<br/>k PDB and Squalene <br/>compound from the <br/>ZINC <br/>database. Molecular docking between the E protein and Squalene were carried out by means of<br/> Auto Dock 4.2. <br/>Result<br/>s: <br/>Based on the study, it was observed that the binding/docking energy for the complex structure was<br/> calculated to be<br/>-5.55 kcal/mol. Critical <br/>residues to interact with E protein were<br/> scrutinized by analyzing the interface<br/> of the complex within 4 Å proximity. Residues such as Thr 48, Glu49, <br/>Ala 50, Val 130, Leu 135, Ser 186, Pro 187, Thr 189, Gly 190, Leu<br/> 191, Phe 193, Leu 198, Leu 207, Thr 268, Phe 279, Thr 280, Gly 281, His 282 and <br/>Leu 283 were found to be non<br/>-covalently located around the squalene. <br/>Conclusio<br/>n: <br/>Scopes to design <br/>de novo<br/> anti<br/>-viral compounds to the dengue viruses by using squalene as a new class of template structure have also <br/>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 | Dewey Decimal Classification |
| Koha item type | Articles Abstract Database |
| Withdrawn status | Lost status | Source of classification or shelving scheme | Damaged status | Not for loan | Home library | Current library | Shelving location | Date acquired | Total Checkouts | Barcode | Date last seen | Price effective from | Koha item type |
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| Dewey Decimal Classification | School of Pharmacy | School of Pharmacy | Archieval Section | 13/02/2020 | 2020946 | 13/02/2020 | 13/02/2020 | Articles Abstract Database |