| 000 -LEADER |
|---|
| fixed length control field |
a |
| 003 - CONTROL NUMBER IDENTIFIER |
|---|
| control field |
OSt |
| 005 - DATE AND TIME OF LATEST TRANSACTION |
|---|
| control field |
20220128142111.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION |
|---|
| fixed length control field |
220128b xxu||||| |||| 00| 0 eng d |
| 040 ## - CATALOGING SOURCE |
|---|
| Original cataloging agency |
AIKTC-KRRC |
| Transcribing agency |
AIKTC-KRRC |
| 100 ## - MAIN ENTRY--PERSONAL NAME |
|---|
| 9 (RLIN) |
15638 |
| Author |
Nirmal, N. S. Femila |
| 245 ## - TITLE STATEMENT |
|---|
| Title |
Computational calculations and molecular docking studies on 2-(2-ethylaminothiazol-5-oyl)benzothiazole |
| 250 ## - EDITION STATEMENT |
|---|
| Volume, Issue number |
Vol.60B(2), Feb. |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. |
|---|
| Place of publication, distribution, etc. |
New Delhi |
| Name of publisher, distributor, etc. |
CSIR |
| Year |
2021 |
| 300 ## - PHYSICAL DESCRIPTION |
|---|
| Pagination |
273-276p. |
| 520 ## - SUMMARY, ETC. |
|---|
| Summary, etc. |
2-(2-Ethylaminothiazol-5-oyl)benzothiazole has been synthesized and its bond length, bond angle, dihedral angle, HOMO-LUMO and Mulliken charges on the atoms have been calculated by density functional theory (DFT/B3LYP) method with 6-311++G(d,p) basis sets. Biological properties like the target receptor identification and identification of interacting residues, of this compound is identified and analyzed by using Openbabel GUI (C) software. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| 9 (RLIN) |
5009 |
| Topical term or geographic name entry element |
GENERAL CHEMISTRY |
| 700 ## - ADDED ENTRY--PERSONAL NAME |
|---|
| 9 (RLIN) |
15639 |
| Co-Author |
Rosy, Bojaxa A. |
| 773 0# - HOST ITEM ENTRY |
|---|
| Title |
Indian journal of chemistry (Section B) |
| Place, publisher, and date of publication |
New Delhi NISCAIR-CSIR 2005 |
| 856 ## - ELECTRONIC LOCATION AND ACCESS |
|---|
| URL |
http://nopr.niscair.res.in/bitstream/123456789/56213/1/IJCB%2060B%282%29%20273-276.pdf |
| Link text |
Click here |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) |
|---|
| Source of classification or shelving scheme |
|
| Koha item type |
Articles Abstract Database |
