Table · dataset · 2026
Data Sheet 1_Preclinical identification of an oxadiazole-pyrazole lead targeting prostate cancer through integrated mechanistic evaluation.pdf
Listed in figshare
Background<p>Prostate cancer remains a major cause of cancer-related mortality among men, while resistance to androgen deprivation therapy emphasizes the need for new therapeutic strategies.
Description
Molecular hybridization of pharmacologically relevant heterocycles offers a rational approach for developing novel anticancer agents.</p>Methods<p>Twenty oxadiazole–pyrazole hybrids (VS-01–VS-20) were designed, synthesized, and evaluated using molecular docking against the androgen receptor (PDB ID: 1Z95), followed by in vitro antiproliferative assessment against androgen-dependent LNCaP and androgen-independent PC-3 prostate cancer cells.
The lead compound was further investigated for its effects on androgen receptor expression, intracellular reactive oxygen species (ROS), cell-cycle progression, and apoptosis using flow cytometry and fluorescence microscopy. ADMET properties were additionally predicted computationally.</p>Results<p>VS-04 demonstrated a favorable interaction profile within the androgen receptor ligand-binding pocket and exhibited potent antiproliferative activity, with IC<sub>50</sub> values of 394.95 ± 3.03 nM against PC-3 and 464.85 ± 4.29 nM against LNCaP cells.
Read the rest (2 more)
Docking–activity correlation analysis revealed a moderate and significant association between docking affinity and PC-3 antiproliferative activity, whereas no significant correlation was observed for LNCaP cells. VS-04 treatment produced a concentration-dependent reduction in androgen receptor expression and increased intracellular ROS levels. Mechanistic studies further demonstrated pronounced S-phase accumulation and induction of apoptosis, with the total apoptotic population increasing from 7.45% in control cells to 47.83% following VS-04 treatment.</p>Conclusion<p>The integrated computational and experimental evaluation identified VS-04 as a promising oxadiazole–pyrazole lead with potent antiproliferative activity against prostate cancer cells.
Its activity was associated with AR modulation, oxidative stress, cell-cycle perturbation, and apoptotic cell death, supporting further structural optimization and preclinical investigation of this scaffold for prostate cancer therapy.</p>
Links
Where it is published
- DOI doi.org/10.3389/fonc.2026.1953079.s001 ↗
DOI / persistent id · from figshare com
Catalogue records · 1
- OAI-PMH record api.figshare.com/v2/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Af… ↗
metadata API · from figshare com
Topics
- From keywords
- Astronomy & Astrophysics · Chemistry · Computer Science & AI · Earth & Environmental Science · Economics & Finance · Engineering · Humanities · Life Sciences · Medicine & Health · Ocean & Atmospheric Science · Social Science
- Inferred from text
- Cancer 75% · Microscopy 75% · Molecular targets 76%
Provenance · 1 source records, 19 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| figshare | oai:figshare.com:article/33952342 | 10 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · figshare com | connector:figshare_com@1.0.0 | |
| concepts[disease].local:disease:cancer | enrichment · figshare com | keyword-concept-rules@1.0.0 | title+description (75%) |
| concepts[field].anzsrc:field:321108 | enrichment · figshare com | taxonomy-embedding@1.0.0 | title+keywords+description (76%) |
| concepts[field].local:field:astronomy | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:computer-science-ai | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:economics-finance | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:engineering | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:humanities | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:medicine-health | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:ocean-atmospheric | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:social-science | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[modality].local:modality:microscopy | enrichment · figshare com | keyword-concept-rules@1.0.0 | title+description (75%) |
| description | source · figshare com | connector:figshare_com@1.0.0 | /metadata/dc/description |
| license | source · figshare com | connector:figshare_com@1.0.0 | /metadata/dc/rights |
| publication_date | source · figshare com | connector:figshare_com@1.0.0 | |
| title | source · figshare com | connector:figshare_com@1.0.0 | /metadata/dc/title |