---
title: "Novel 4‑Thiazolidinone Derivatives as Antidiabetic Agents: In Silico and In Vivo Evaluation"
id: "pubmed-42617405"
canonical_url: "https://medichelpline.com/clinical-feed/pubmed-42617405"
content_type: "clinical_feed_article"
specialty: "Pharmacology"
source_name: "PubMed / NCBI"
source_url: "https://pubmed.ncbi.nlm.nih.gov/42617405/"
doi: "10.1016/j.bbrc.2026.154436"
published_at: "2026-10-08T00:00:00.000Z"
evidence_level: "Journal Article"
license: "CC-BY-NC-4.0 / Informational Use"
---
# Novel 4‑Thiazolidinone Derivatives as Antidiabetic Agents: In Silico and In Vivo Evaluation
## Provenance & Clinical Metadata
- **Canonical URL:** https://medichelpline.com/clinical-feed/pubmed-42617405
- **Specialty:** [Pharmacology](https://medichelpline.com/clinical-feed/pharmacology.md)
- **Primary Source:** PubMed / NCBI
- **Source URL:** [Original Journal Publication](https://pubmed.ncbi.nlm.nih.gov/42617405/)
- **DOI:** [10.1016/j.bbrc.2026.154436](https://doi.org/10.1016%2Fj.bbrc.2026.154436)
- **Published At:** 2026-10-08T00:00:00.000Z
- **Evidence Rating:** Journal Article
## Executive GIST (TL;DR)
- A new series of **4‑thiazolidinone** derivatives (labeled 3a–3h) were synthesized via condensation of 2-(arylamino)-thiazol-4-one with pyrrole-3-carbaldehyde using glacial acetic acid. Compounds were characterized by IR, 1H NMR and mass spectrometry. - In‑silico studies included molecular docking to the human **PPAR-γ** receptor (PDB ID: 4EMA). Compound 3d showed the most favorable docking score (−8.67 kcal/mol), exceeding the standard rosiglitazone score (−8.39 kcal/mol). - Stability of the 3d–PPAR-γ complex was assessed using RMSD, RMSF and protein–ligand interaction analyses; binding free energy was evaluated by MM‑GBSA to support docking reliability. - Cytotoxicity was evaluated in C2C12 myoblasts using the MTT assay. Compounds were further tested in a glucose uptake assay and for PPAR‑γ transcriptional activity. - In vivo antidiabetic activity was tested in a Streptozotocin-induced diabetic rat model alongside a standard comparator. Compounds 3d and 3f demonstrated promising antidiabetic effects consistent with computational predictions. - Treatment with the derivatives produced significant reductions in serum transaminases (SGOT, SGPT), and favorable changes in lipid and protein markers: decreases in HDL, LDL, VLDL, total cholesterol, triglycerides, and serum protein were reported. - The study concludes that the synthetic approach yielded a novel thiazolidinone scaffold with promising antidiabetic potential and provides a basis for further optimization to improve therapeutic benefit and safety.
## Clinical Analysis & Structured Key Points
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Epub 2026 Aug 12. # Synthesis, and biological evaluation of novel 4-thiazolidinone derivatives as promising antidiabetic agents: In silico and in vivo investigations [Banylla Felicity DkharGatphoh](https://pubmed.ncbi.nlm.nih.gov/?term=DkharGatphoh+BF&cauthor_id=42617405)[ 1 ](https://pubmed.ncbi.nlm.nih.gov/42617405/#full-view-affiliation-1 "Nitte \(Deemed to be University\), NGSM Institute of Pharmaceutical Sciences \(NGSMIPS\), Department of Pharmaceutical Chemistry, Mangalore, India."), [Amgoth Ramesh](https://pubmed.ncbi.nlm.nih.gov/?term=Ramesh+A&cauthor_id=42617405)[ 2 ](https://pubmed.ncbi.nlm.nih.gov/42617405/#full-view-affiliation-2 "Department of Chemistry, National Institute of Technology Karnataka, Surathkal, Mangalore, Karnataka, 575025, India."), [Poornachandra Shamanna Prabhakar](https://pubmed.ncbi.nlm.nih.gov/?term=Prabhakar+PS&cauthor_id=42617405)[ 3 ](https://pubmed.ncbi.nlm.nih.gov/42617405/#full-view-affiliation-3 "Department Chemistry, Akshaya Institute of Technology, Tumkur, Karnataka, 572106, India."), [Madan Kumar](https://pubmed.ncbi.nlm.nih.gov/?term=Kumar+M&cauthor_id=42617405)[ 4 ](https://pubmed.ncbi.nlm.nih.gov/42617405/#full-view-affiliation-4 "Department of Chemistry and Molecular Biology, University of Gothenburg, 40530, Sweden."), [Natasha N Aggarwal](https://pubmed.ncbi.nlm.nih.gov/?term=Aggarwal+NN&cauthor_id=42617405)[ 1 ](https://pubmed.ncbi.nlm.nih.gov/42617405/#full-view-affiliation-1 "Nitte \(Deemed to be University\), NGSM Institute of Pharmaceutical Sciences \(NGSMIPS\), Department of Pharmaceutical Chemistry, Mangalore, India."), [Ashwini Somayaji](https://pubmed.ncbi.nlm.nih.gov/?term=Somayaji+A&cauthor_id=42617405)[ 5 ](https://pubmed.ncbi.nlm.nih.gov/42617405/#full-view-affiliation-5 "Nitte \(Deemed to be University\), NGSM Institute of Pharmaceutical Sciences \(NGSMIPS\), Department of Pharmacology, Mangalore, India."), [Chaithra Raviraj](https://pubmed.ncbi.nlm.nih.gov/?term=Raviraj+C&cauthor_id=42617405)[ 6 ](https://pubmed.ncbi.nlm.nih.gov/42617405/#full-view-affiliation-6 "Department of Advance Research Centre, \(NGSMIPS\), NITTE \(Deemed to be University\), NGSM Institute of Pharmaceutical Sciences, Mangalore, Karnataka, India."), [Sheshagiri R Dixit](https://pubmed.ncbi.nlm.nih.gov/?term=Dixit+SR&cauthor_id=42617405)[ 7 ](https://pubmed.ncbi.nlm.nih.gov/42617405/#full-view-affiliation-7 "Computer Aided Drug Design Laboratory, Department of Pharmaceutical Chemistry, JSS College of Pharmacy Mysore, JSS Academy of Higher Education and Research, Mysore, Karnataka, 570015, India."), [Durgesh Paresh Bidye](https://pubmed.ncbi.nlm.nih.gov/?term=Bidye+DP&cauthor_id=42617405)[ 7 ](https://pubmed.ncbi.nlm.nih.gov/42617405/#full-view-affiliation-7 "Computer Aided Drug Design Laboratory, Department of Pharmaceutical Chemistry, JSS College of Pharmacy Mysore, JSS Academy of Higher Education and Research, Mysore, Karnataka, 570015, India."), [B C Revanasiddappa](https://pubmed.ncbi.nlm.nih.gov/?term=Revanasiddappa+BC&cauthor_id=42617405)[ 8 ](https://pubmed.ncbi.nlm.nih.gov/42617405/#full-view-affiliation-8 "Nitte \(Deemed to be University\), NGSM Institute of Pharmaceutical Sciences \(NGSMIPS\), Department of Pharmaceutical Chemistry, Mangalore, India. Electronic address: revan@nitte.edu.in.") Affiliations Expand ### Affiliations * 1 Nitte (Deemed to be University), NGSM Institute of Pharmaceutical Sciences (NGSMIPS), Department of Pharmaceutical Chemistry, Mangalore, India. * 2 Department of Chemistry, National Institute of Technology Karnataka, Surathkal, Mangalore, Karnataka, 575025, India. * 3 Department Chemistry, Akshaya Institute of Technology, Tumkur, Karnataka, 572106, India. * 4 Department of Chemistry and Molecular Biology, University of Gothenburg, 40530, Sweden. * 5 Nitte (Deemed to be University), NGSM Institute of Pharmaceutical Sciences (NGSMIPS), Department of Pharmacology, Mangalore, India. * 6 Department of Advance Research Centre, (NGSMIPS), NITTE (Deemed to be University), NGSM Institute of Pharmaceutical Sciences, Mangalore, Karnataka, India. * 7 Computer Aided Drug Design Laboratory, Department of Pharmaceutical Chemistry, JSS College of Pharmacy Mysore, JSS Academy of Higher Education and Research, Mysore, Karnataka, 570015, India. * 8 Nitte (Deemed to be University), NGSM Institute of Pharmaceutical Sciences (NGSMIPS), Department of Pharmaceutical Chemistry, Mangalore, India. Electronic address: revan@nitte.edu.in. * PMID: **42617405** * DOI: [ 10.1016/j.bbrc.2026.154436 ](https://doi.org/10.1016/j.bbrc.2026.154436) Item in Clipboard # Synthesis, and biological evaluation of novel 4-thiazolidinone derivatives as promising antidiabetic agents: In silico and in vivo investigations Banylla Felicity DkharGatphoh et al. Biochem Biophys Res Commun. 2026. Show details Display options Display options Format Abstract PubMed PMID Biochem Biophys Res Commun Actions * [ Search in PubMed ](https://pubmed.ncbi.nlm.nih.gov/?term=%22Biochem+Biophys+Res+Commun%22%5Bjour%5D&sort=date&sort_order=desc) * [ Search in NLM Catalog ](https://www.ncbi.nlm.nih.gov/nlmcatalog?term=%22Biochem+Biophys+Res+Commun%22%5BTitle+Abbreviation%5D) * [ Add to Search ](https://pubmed.ncbi.nlm.nih.gov/42617405/) . 2026 Oct 8:834:154436. doi: 10.1016/j.bbrc.2026.154436. Epub 2026 Aug 12. ### Authors [Banylla Felicity DkharGatphoh](https://pubmed.ncbi.nlm.nih.gov/?term=DkharGatphoh+BF&cauthor_id=42617405)[ 1 ](https://pubmed.ncbi.nlm.nih.gov/42617405/#short-view-affiliation-1 "Nitte \(Deemed to be University\), NGSM Institute of Pharmaceutical Sciences \(NGSMIPS\), Department of Pharmaceutical Chemistry, Mangalore, India."), [Amgoth Ramesh](https://pubmed.ncbi.nlm.nih.gov/?term=Ramesh+A&cauthor_id=42617405)[ 2 ](https://pubmed.ncbi.nlm.nih.gov/42617405/#short-view-affiliation-2 "Department of Chemistry, National Institute of Technology Karnataka, Surathkal, Mangalore, Karnataka, 575025, India."), [Poornachandra Shamanna Prabhakar](https://pubmed.ncbi.nlm.nih.gov/?term=Prabhakar+PS&cauthor_id=42617405)[ 3 ](https://pubmed.ncbi.nlm.nih.gov/42617405/#short-view-affiliation-3 "Department Chemistry, Akshaya Institute of Technology, Tumkur, Karnataka, 572106, India."), [Madan Kumar](https://pubmed.ncbi.nlm.nih.gov/?term=Kumar+M&cauthor_id=42617405)[ 4 ](https://pubmed.ncbi.nlm.nih.gov/42617405/#short-view-affiliation-4 "Department of Chemistry and Molecular Biology, University of Gothenburg, 40530, Sweden."), [Natasha N Aggarwal](https://pubmed.ncbi.nlm.nih.gov/?term=Aggarwal+NN&cauthor_id=42617405)[ 1 ](https://pubmed.ncbi.nlm.nih.gov/42617405/#short-view-affiliation-1 "Nitte \(Deemed to be University\), NGSM Institute of Pharmaceutical Sciences \(NGSMIPS\), Department of Pharmaceutical Chemistry, Mangalore, India."), [Ashwini Somayaji](https://pubmed.ncbi.nlm.nih.gov/?term=Somayaji+A&cauthor_id=42617405)[ 5 ](https://pubmed.ncbi.nlm.nih.gov/42617405/#short-view-affiliation-5 "Nitte \(Deemed to be University\), NGSM Institute of Pharmaceutical Sciences \(NGSMIPS\), Department of Pharmacology, Mangalore, India."), [Chaithra Raviraj](https://pubmed.ncbi.nlm.nih.gov/?term=Raviraj+C&cauthor_id=42617405)[ 6 ](https://pubmed.ncbi.nlm.nih.gov/42617405/#short-view-affiliation-6 "Department of Advance Research Centre, \(NGSMIPS\), NITTE \(Deemed to be University\), NGSM Institute of Pharmaceutical Sciences, Mangalore, Karnataka, India."), [Sheshagiri R Dixit](https://pubmed.ncbi.nlm.nih.gov/?term=Dixit+SR&cauthor_id=42617405)[ 7 ](https://pubmed.ncbi.nlm.nih.gov/42617405/#short-view-affiliation-7 "Computer Aided Drug Design Laboratory, Department of Pharmaceutical Chemistry, JSS College of Pharmacy Mysore, JSS Academy of Higher Education and Research, Mysore, Karnataka, 570015, India."), [Durgesh Paresh Bidye](https://pubmed.ncbi.nlm.nih.gov/?term=Bidye+DP&cauthor_id=42617405)[ 7 ](https://pubmed.ncbi.nlm.nih.gov/42617405/#short-view-affiliation-7 "Computer Aided Drug Design Laboratory, Department of Pharmaceutical Chemistry, JSS College of Pharmacy Mysore, JSS Academy of Higher Education and Research, Mysore, Karnataka, 570015, India."), [B C Revanasiddappa](https://pubmed.ncbi.nlm.nih.gov/?term=Revanasiddappa+BC&cauthor_id=42617405)[ 8 ](https://pubmed.ncbi.nlm.nih.gov/42617405/#short-view-affiliation-8 "Nitte \(Deemed to be University\), NGSM Institute of Pharmaceutical Sciences \(NGSMIPS\), Department of Pharmaceutical Chemistry, Mangalore, India. Electronic address: revan@nitte.edu.in.") ### Affiliations * 1 Nitte (Deemed to be University), NGSM Institute of Pharmaceutical Sciences (NGSMIPS), Department of Pharmaceutical Chemistry, Mangalore, India. * 2 Department of Chemistry, National Institute of Technology Karnataka, Surathkal, Mangalore, Karnataka, 575025, India. * 3 Department Chemistry, Akshaya Institute of Technology, Tumkur, Karnataka, 572106, India. * 4 Department of Chemistry and Molecular Biology, University of Gothenburg, 40530, Sweden. * 5 Nitte (Deemed to be University), NGSM Institute of Pharmaceutical Sciences (NGSMIPS), Department of Pharmacology, Mangalore, India. * 6 Department of Advance Research Centre, (NGSMIPS), NITTE (Deemed to be University), NGSM Institute of Pharmaceutical Sciences, Mangalore, Karnataka, India. * 7 Computer Aided Drug Design Laboratory, Department of Pharmaceutical Chemistry, JSS College of Pharmacy Mysore, JSS Academy of Higher Education and Research, Mysore, Karnataka, 570015, India. * 8 Nitte (Deemed to be University), NGSM Institute of Pharmaceutical Sciences (NGSMIPS), Department of Pharmaceutical Chemistry, Mangalore, India. Electronic address: revan@nitte.edu.in. * PMID: **42617405** * DOI: [ 10.1016/j.bbrc.2026.154436 ](https://doi.org/10.1016/j.bbrc.2026.154436) Item in Clipboard Full text links Cite Display options Display options Format Abstract PubMed PMID Linked Discoveries ## Abstract A novel series of thiazolidinone derivatives (3a-3h) were synthesized through the condensation of 2-(arylamino)-thiazol-4-one and pyrrole-3-carbaldehyde utilizing glacial acetic acid as a medium and physical characterization was done by IR, 1H NMR and MS techniques. The compounds were subjected to In-silico analysis to gain insights into their potential biological activities, followed by molecular docking against the human PPAR-γ receptor (PDB ID: 4EMA). Remarkably, compound 3d (-8.67 kcal/mol) exhibited favorable binding interactions with the PPAR-γ receptor, surpassing the standard Rosiglitazone (-8.39 kcal/mol). The stability of the binding complex between compound 3d and the 4EMA structure was ascertained through RMSD, RMSF, and protein-ligand interactions. Additionally, the reliability of the docking results was corroborated by the MM-GBSA assay. The compounds cytotoxicity was evaluated in C2C12 myoblasts using the MTT assay, followed by glucose uptake assay. Additionally, the compounds were tested to confirm their PPAR-γ transcription activity. The investigation of in vivo antidiabetic activity was carried out utilizing a Streptozotocin-induced diabetic rat model, in parallel with the standard compound. Notably, compounds 3d and 3f demonstrated promising antidiabetic activity, consistent with the computational predictions. Administration of the thiazolidinone derivatives to diabetic rats led to significant reductions in SGOT and SGPT levels, indicative of the derivative's preventive potential against kidney and liver damage under diabetic conditions. Furthermore, the compounds exhibited the ability to markedly decrease levels of HDL, LDL, VLDL, cholesterol, triglycerides, and protein, suggesting their promising antidiabetic efficacy. The synthetic strategy adopted in this study not only facilitated the creation of a novel set of thiazolidinone derivatives but also showed some good insights for the development of future agents with enhanced therapeutic potential and reduced side effects, based on the foundational thiazolidinone scaffold. **Keywords:** Antidiabetic; Histopathological; In silico studies; PPAR-Gamma receptor; Streptozotocin; Thiazolidinones. Copyright © 2026 Elsevier Inc. All rights reserved. [PubMed Disclaimer](https://pubmed.ncbi.nlm.nih.gov/disclaimer/) ## Conflict of interest statement Declaration of competing interests The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper. ## Similar articles * [ Synthesis, molecular docking, and in vivo antidiabetic evaluation of new benzylidene-2,4-thiazolidinediones as partial PPAR-γ agonists. ](https://pubmed.ncbi.nlm.nih.gov/37963936/) Najmi A, Alam MS, Thangavel N, Taha MME, Meraya AM, Albratty M, Alhazmi HA, Ahsan W, Haque A, Azam F.Najmi A, et al.Sci Rep. 2023 Nov 14;13(1):19869. doi: 10.1038/s41598-023-47157-x.Sci Rep. 2023.PMID: 37963936Free PMC article. * [ Expression of PPAR-γ TF by newly synthesized thiazolidine-2,4-diones to manage glycemic control: Insights from in silico, in vitro and experimental pharmacology in wistar rats. ](https://pubmed.ncbi.nlm.nih.gov/39579552/) Gharge S, Alegaon SG, Ranade SD, Kavalapure RS, Prashantha Kumar BR, Mhaske PC.Gharge S, et al.Bioorg Chem. 2024 Dec;153:107966. doi: 10.1016/j.bioorg.2024.107966. Epub 2024 Nov
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