In silico evaluation of apoptogenic potential and toxicological profile of triterpenoids (Record no. 9640)
[ view plain ]
| 000 -LEADER | |
|---|---|
| fixed length control field | nam a22 4500 |
| 003 - CONTROL NUMBER IDENTIFIER | |
| control field | OSt |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20191009115907.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 191009b xxu||||| |||| 00| 0 eng d |
| 040 ## - CATALOGING SOURCE | |
| Original cataloging agency | AIKTC-KRRC |
| Transcribing agency | AIKTC-KRRC |
| 100 ## - MAIN ENTRY--PERSONAL NAME | |
| 9 (RLIN) | 9791 |
| Author | Desai, Tanvi Himanshu |
| 245 ## - TITLE STATEMENT | |
| Title | In silico evaluation of apoptogenic potential and toxicological profile of triterpenoids |
| 250 ## - EDITION STATEMENT | |
| Volume, Issue number | Vol.51(3), May-June |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. | |
| Place of publication, distribution, etc. | Mumbai |
| Name of publisher, distributor, etc. | Wolter Kluwer |
| Year | 2019 |
| 300 ## - PHYSICAL DESCRIPTION | |
| Pagination | 181-207p. |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc. | AIM:<br/><br/>Caspases-3 and 8 are key mediators of intrinsic and extrinsic pathway of apoptosis, respectively. Triterpenoids of natural and synthetic origin reported as anticancer agents with apoptotic potential and hence may prove to be good candidates for in silico testing against caspases-3 and 8.<br/>MATERIALS AND METHODS:<br/><br/>Various naturally-occurring and synthetic triterpenoids were subjected to activity prediction using PASS Online software, and among them, 67 compounds were selected for further processing. Protein structure of caspase-3 (3DEI) and caspase-8 (3KJQ) was obtained from the protein data bank and docked with selected triterpenoids using AutoDock Tools and AutoDock Vina. Toxicological profile was predicted based on clinical manifestations using PASS online software.<br/>RESULTS:<br/><br/>The high docking score of -10.0, -9.9, -9.8, and -9.5 were shown by friedelin, tingenone, albiziasaponin A, and albiziasaponin C, respectively, for caspase-3, and -11.0, -9.6, -9.6, and -9.4 by β-boswellic acid, bryonolic acid, canophyllic acid, and CDDO, respectively, for caspase-8. Possible adverse events were predicted with varying degree of probability and major relevant effects were reported. Hydrostatic interactions along with formation of hydrogen bonds with specific amino acids in the binding pocket were identified with each triterpenoid.<br/>CONCLUSION:<br/><br/>Lead molecules identified through this in silico study such as friedelin, tingenone, albiziasaponin, bryonolic acid, and canophyllic acid may be utilized for further in vitro/in vivo studies as apoptotic agents targeting caspases-3 and 8. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| 9 (RLIN) | 4774 |
| Topical term or geographic name entry element | PHARMACOLOGY |
| 700 ## - ADDED ENTRY--PERSONAL NAME | |
| 9 (RLIN) | 9792 |
| Co-Author | Joshi, Shrikant Vijayrao |
| 856 ## - ELECTRONIC LOCATION AND ACCESS | |
| URL | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6644186/ |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Dewey Decimal Classification | School of Pharmacy | School of Pharmacy | Archieval Section | 09/10/2019 | 2019819 | 09/10/2019 | 09/10/2019 | Articles Abstract Database |