| dc.creator |
AKKOÇ, Senem |
|
| dc.creator |
Alhag, Sadeq K. |
|
| dc.creator |
Al-Shuraym, Laila A. |
|
| dc.creator |
MUHAMMED, Muhammed Tılahun |
|
| dc.creator |
Al-Shahari, Eman A. |
|
| dc.creator |
Senan, Ahmed M. |
|
| dc.date |
2025-01-05T00:00:00Z |
|
| dc.date.accessioned |
2025-02-25T10:41:51Z |
|
| dc.date.available |
2025-02-25T10:41:51Z |
|
| dc.identifier |
f6e77c8b-01da-4634-88ab-5c7ceba8636f |
|
| dc.identifier |
10.1016/j.molstruc.2024.139353 |
|
| dc.identifier |
https://avesis.sdu.edu.tr/publication/details/f6e77c8b-01da-4634-88ab-5c7ceba8636f/oai |
|
| dc.identifier.uri |
http://acikerisim.sdu.edu.tr/xmlui/handle/123456789/101959 |
|
| dc.description |
Ionic liquid MIE-NH2 displays a new role in the development of modification of glycoproteins of lactoferrin through a reductive amination mechanism to synthesize versatile pharmaceuticals. This work introduces a new strategy of modification of lactoferrin by using methyl imidazolium N-ethylamine MIE-NH2, this ionic liquid linked to N-glycans in lactoferrin derivatives in simple method. The modification of lactoferrin with MIE-NH2 as a novel small molecule (SM-IL-Lf) contains active amino groups is confirmed by UPLC/ESI-QTOF and MALDI-TOF mass spectrometry. Molecular docking disclosed the bioactivity of modifying glycoproteins - small IL-Lf-molecules by elucidating its interactions with the inspected targets. This providing of small molecules IL-Lf released a wide display with different functions as significantly important drug candidates inhibiting the targets of main protease (Mpro), RNA dependent RNA polymerase (RdRp), transmembrane protease serine 2 (TMPRSS2), and Papain-like protease (PLpro). The probability of the modeling N-glycans from lactoferrin modified and designed as small IL-Lf-molecules to inhibit any of these targets was investigated to find out its potency inhibitor of SARS-CoV-2. |
|
| dc.language |
eng |
|
| dc.rights |
info:eu-repo/semantics/closedAccess |
|
| dc.title |
Modification of ionic liquid and lactoferrin-based small molecules as potential therapeutics against SARS-CoV-2: Molecular docking disclosed the predictable results |
|
| dc.type |
info:eu-repo/semantics/article |
|