Data · dataset · 2020
Thiazole-5-carboxylic acid derivatives as potent xanthine oxidase inhibitors: design, synthesis, in vitro evaluation, and molecular modeling studies
Listed in ZivaHub and Deakin Research Online and DMU Figshare — shown once because both records carry DOI 10.26187/deakin.34039302
A series of 22 compounds of thiazole-5-carboxylic acid derivatives was rationally designed and synthesized.
Description
All the compounds were characterized by using <sup>1</sup>H and <sup>13</sup>C NMR and tested against xanthine oxidase enzyme by spectrophotometric assay. Majority of the compounds were found active against the enzyme amongst which GK-20 with an IC50 value of 0.45 µM was found to be most potent.
Structure-activity relationship obtained from the biological results revealed that the di-substituted compounds as Ring B were more potent than that of mono-substituted derivatives. Para-substitution on Ring B is crucial for the xanthine oxidase inhibitory potential. Enzyme kinetic studies further revealed their mixed type inhibition behavior.
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Moreover, the binding pattern of the most potent compound GK-20 within the febuxostat binding site of the enzyme was further analyzed by using docking studies which revealed that it sufficiently block the catalytic active site, which prevents the substrate to bind.<p></p>
Links
Where it is published
- DOI doi.org/10.26187/deakin.34039302 ↗
DOI / persistent id · from zivahub uct ac za
Catalogue records · 1
- OAI-PMH record api.figshare.com/v2/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Af… ↗
metadata API · from zivahub uct ac za
Topics
- From keywords
- Chemistry · Chemistry · Chemistry · Earth & Environmental Science · Earth & Environmental Science · Earth & Environmental Science · Life Sciences · Life Sciences · Life Sciences · Medicinal and biomolecular chemistry · Medicinal and biomolecular chemistry · Medicinal and biomolecular chemistry · Medicine & Health · Medicine & Health · Medicine & Health · Organic chemistry · Organic chemistry · Organic chemistry · Pharmacology and pharmaceutical sciences · Pharmacology and pharmaceutical sciences · Pharmacology and pharmaceutical sciences
Provenance · 3 source records, 26 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| ZivaHub | oai:figshare.com:article/34039302 | 10 d ago | JSON v1 |
| Deakin Research Online | oai:figshare.com:article/34039302 | 10 d ago | JSON v1 |
| DMU Figshare | oai:figshare.com:article/34039302 | 10 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | |
| concepts[field].anzsrc:group:3214 | mapping · zivahub uct ac za | vocabulary-mapper@1.0.0 | keywords['Pharmacology and pharmaceutical sciences'] |
| concepts[field].anzsrc:group:3214 | mapping · figshare dmu ac uk | vocabulary-mapper@1.0.0 | keywords['Pharmacology and pharmaceutical sciences'] |
| concepts[field].anzsrc:group:3214 | mapping · dro deakin edu au | vocabulary-mapper@1.0.0 | keywords['Pharmacology and pharmaceutical sciences'] |
| concepts[field].anzsrc:group:3404 | mapping · dro deakin edu au | vocabulary-mapper@1.0.0 | keywords['Medicinal and biomolecular chemistry'] |
| concepts[field].anzsrc:group:3404 | mapping · figshare dmu ac uk | vocabulary-mapper@1.0.0 | keywords['Medicinal and biomolecular chemistry'] |
| concepts[field].anzsrc:group:3404 | mapping · zivahub uct ac za | vocabulary-mapper@1.0.0 | keywords['Medicinal and biomolecular chemistry'] |
| concepts[field].anzsrc:group:3405 | mapping · dro deakin edu au | vocabulary-mapper@1.0.0 | keywords['Organic chemistry'] |
| concepts[field].anzsrc:group:3405 | mapping · figshare dmu ac uk | vocabulary-mapper@1.0.0 | keywords['Organic chemistry'] |
| concepts[field].anzsrc:group:3405 | mapping · zivahub uct ac za | vocabulary-mapper@1.0.0 | keywords['Organic chemistry'] |
| concepts[field].local:field:chemistry | mapping · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · dro deakin edu au | connector:dro_deakin_edu_au@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · figshare dmu ac uk | connector:figshare_dmu_ac_uk@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · figshare dmu ac uk | connector:figshare_dmu_ac_uk@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · dro deakin edu au | connector:dro_deakin_edu_au@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · figshare dmu ac uk | connector:figshare_dmu_ac_uk@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · dro deakin edu au | connector:dro_deakin_edu_au@1.0.0 | |
| concepts[field].local:field:medicine-health | mapping · dro deakin edu au | connector:dro_deakin_edu_au@1.0.0 | |
| concepts[field].local:field:medicine-health | mapping · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | |
| concepts[field].local:field:medicine-health | mapping · figshare dmu ac uk | connector:figshare_dmu_ac_uk@1.0.0 | |
| description | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | /metadata/dc/description |
| license_text | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | |
| publication_date | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | |
| title | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | /metadata/dc/title |