Molecuar docking study of six pyrimidine derivatives as egfr (epidermal growth factor receptor) and CA IX (carbonic anhydrase IX) inhibitor (Record no. 9077)
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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 | 20190523134311.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 190523b xxu||||| |||| 00| 0 eng d |
| 040 ## - CATALOGING SOURCE | |
| Original cataloging agency | AIKTC-KRRC |
| Transcribing agency | AIKTC-KRRC |
| 100 ## - MAIN ENTRY--PERSONAL NAME | |
| 9 (RLIN) | 8725 |
| Author | Sharma, Shikha |
| 245 ## - TITLE STATEMENT | |
| Title | Molecuar docking study of six pyrimidine derivatives as egfr (epidermal growth factor receptor) and CA IX (carbonic anhydrase IX) inhibitor |
| 250 ## - EDITION STATEMENT | |
| Volume, Issue number | Vol. 2(3) |
| 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 | 66-71p. |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc. | Objective: The present study was carried out to discover whether these pyrimidine derivatives have the potential to be used as epidermal growth factor receptor (EGFR ) and carbonic anhydrase ( CA ) IX inhibitors through structure -based in silico study. Method s: Docking was performed on 6 pyrimidine analog s; cetuximab and curcumin were taken as refere nce drug. The s tructure of the target protein retrieved from the RCSB Protein databank and the p rotein -ligand docking was performed using Pyrx AutoDock wizard with MGL tools 1.5.6 by using Lamarckian algorithm. Result s: All the compounds have shown lower binding energy and inhibition constant (Ki) value than reference drug cetuximab and curcumin. Out of the 6 inhibitors analyzed vkh has shown minimum binding energy against the target protein EGFR and CA IX respectively . Smaller Ki value shows stronger interaction. The scoring value of the interaction of vkh i. e -10.74 and -9.93 K cal/mol and Ki 13.17 ɳ M and 53.04 ɳ M against the target protein EGFR and CA IX respectively while the reference drug c etuximab has shown binding energy -6.09 Kcal/mol with Ki value 34.44 μ M and curcumin has shown binding energy -6.02 kcal/mol with Ki value 38.60 μM. |
| 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) | 8726 |
| Co-Author | Shukla, V. J |
| 773 0# - HOST ITEM ENTRY | |
| International Standard Serial Number | 0975 – 1491 |
| Title | International journal of pharmacy and pharmaceutical science |
| Place, publisher, and date of publication | Bhopal Innovare Academic Sciences Pvt Ltd |
| 856 ## - ELECTRONIC LOCATION AND ACCESS | |
| URL | https://innovareacademics.in/journals/index.php/ijpps/article/view/31183/19402 |
| 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 | 2019-05-23 | 2018562 | 2019-06-19 | 2019-05-23 | Articles Abstract Database |