3D QSAR AND DOCKING STUDY OF INDOLE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS (Record no. 11181)
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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 | 20200212102133.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 200212b xxu||||| |||| 00| 0 eng d |
| 040 ## - CATALOGING SOURCE | |
| Original cataloging agency | AIKTC-KRRC |
| Transcribing agency | AIKTC-KRRC |
| 100 ## - MAIN ENTRY--PERSONAL NAME | |
| 9 (RLIN) | 12124 |
| Author | Chavan, Rajashree |
| 245 ## - TITLE STATEMENT | |
| Title | 3D QSAR AND DOCKING STUDY OF INDOLE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS |
| 250 ## - EDITION STATEMENT | |
| Volume, Issue number | Vol.11(4) |
| 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 | 84-92p. |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc. | Objective : Non-steroidal anti-inflammatory agents (NSAIDs) con tinue to be one of the most widely used groups of t herapeutic agents. QSAR (quantitative structure-activity relationship) appr oach is a very useful and widespread technique for drug design. 3D QSAR facilitates evaluation of three-dimensional molecular fields around molecules and generates a relationship of these fields' valu es with the activity. Methods : 3D QSAR study was performed on selected twenty-four compounds from synthesized indole derivatives usin g the stepwise variable selection k-nearest neighbor (kNN) molecular field analysis approach for indicating the contribution o f the steric and electronic field for activity. The docking study was performed to further confirm the binding affinity of synthesized molecules (liga nds) to COX-2 enzyme as well as to study binding nature. Results : Statistically significant model was generated using VLife Molecular Design Suite 3.5 software with cro ss-validated correlation coefficient q 2 of 0.9461 and high predictive correlation coefficie nt (Pred_r 2 ) of 0.8782 indicating that the model is robust. Th e results of docking study suggest that the synthesized compounds have a comparable bi nding affinity with the COX-2 enzyme. Conclusion : The present study may prove to be helpful in the de velopment and optimization of existing indole deriv atives as anti-inflammatory agents with selective COX-2 inhibition. |
| 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) | 12125 |
| Co-Author | More, Harinath |
| 773 0# - HOST ITEM ENTRY | |
| Place, publisher, and date of publication | Bhopal Innovare Academic Sciences Pvt Ltd |
| International Standard Serial Number | 2656-0097 |
| Title | International journal of pharmacy and pharmaceutical science |
| 856 ## - ELECTRONIC LOCATION AND ACCESS | |
| URL | https://innovareacademics.in/journals/index.php/ijpps/article/view/31891/19674 |
| 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 | 2020-02-12 | 2020914 | 2020-02-12 | 2020-02-12 | Articles Abstract Database |