| 000 -LEADER |
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| fixed length control field |
a |
| 003 - CONTROL NUMBER IDENTIFIER |
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| control field |
OSt |
| 005 - DATE AND TIME OF LATEST TRANSACTION |
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| control field |
20230426141410.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION |
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| fixed length control field |
230426b xxu||||| |||| 00| 0 eng d |
| 040 ## - CATALOGING SOURCE |
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| Original cataloging agency |
AIKTC-KRRC |
| Transcribing agency |
AIKTC-KRRC |
| 100 ## - MAIN ENTRY--PERSONAL NAME |
|---|
| 9 (RLIN) |
20564 |
| Author |
Pal, Maynak |
| 245 ## - TITLE STATEMENT |
|---|
| Title |
SAR-based approach to explore in silico ferrocene analogues as the potential inhibitors of major viral proteins of SARS-CoV-2 virus and human Ca2+-channel blocker |
| 250 ## - EDITION STATEMENT |
|---|
| Volume, Issue number |
Vol.61(4), Apr |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. |
|---|
| Place of publication, distribution, etc. |
New Delhi |
| Name of publisher, distributor, etc. |
CSIR |
| Year |
2022 |
| 300 ## - PHYSICAL DESCRIPTION |
|---|
| Pagination |
370-384p. |
| 520 ## - SUMMARY, ETC. |
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| Summary, etc. |
Amid the pandemic COVID-19, there is a desperate and urgent need for a therapeutic solution for COVID-19. Our present studies have adapted the SAR-based approach to explore in silico several selected ferrocene-based complexes as the potential inhibitors of the major viral proteins (Spike, RdRp, Mpro, N protein) of the SARS-CoV-2 virus. The SAR-based molecular docking studies have revealed that compound 1 is the strongest inhibitor of the major viral proteins with a binding energy of >9.0 kcal/mol. Compound 1 is also able to inhibit the human Ca2+ channel and thereby potentially able to prevent the strong inflammatory signalling cascades causing severe respiratory distress to the COVID-19 patients. Overall, our computational studies explored ferrocene-based compounds as the emerging multi-targeting therapeutic solution for COVID-19 by inhibiting viral replication as well as modulating the inflammatory signalling cascades. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
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| 9 (RLIN) |
5009 |
| Topical term or geographic name entry element |
GENERAL CHEMISTRY |
| 700 ## - ADDED ENTRY--PERSONAL NAME |
|---|
| 9 (RLIN) |
20565 |
| Co-Author |
Dulal, Musib |
| 773 0# - HOST ITEM ENTRY |
|---|
| Place, publisher, and date of publication |
New Delhi NISCAIR-CSIR 2005 |
| International Standard Serial Number |
0019-5103 |
| Title |
Indian journal of chemistry (Section B) |
| 856 ## - ELECTRONIC LOCATION AND ACCESS |
|---|
| URL |
http://op.niscpr.res.in/index.php/IJC/article/view/62555 |
| Link text |
Click here |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) |
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| Source of classification or shelving scheme |
|
| Koha item type |
Articles Abstract Database |
