Skip to content
#protein folding Open access

Design, synthesis, and nanomedicine based delivery of benzimidazole derivatives with promising antiproliferative activity.

Aug 2026 · RSC Medicinal Chemistry · 0 citations · 62 references
Medicine

TL;DR

These findings highlight benzimidazole derivatives, particularly 16a and 17b and their nanoparticle formulations, as promising anticancer candidates, driven primarily by strong cellular potency and favorable safety, substantiating their potential as lead candidates for further optimization and therapeutic development.

Abstract

The growing global challenge posed by cancer, alongside its consistently high mortality rates, underscores the urgent need for innovative therapeutic agents that can effectively tackle its intricate pathophysiology and enhance patient survival rates. This study explores two series of benzimidazole based derivatives designed and synthesized as potential antiproliferative agents. The synthesized derivatives were screened for antiproliferative activity against cancer cell lines MCF7, MDA-MB-231, A549, HCT-116, and HEPG2. Cytotoxicity was assessed on normal VERO cells to ensure compound safety. The synthesized candidates were further evaluated for their potential TrkA enzyme inhibition. Compound 16a exhibited potent antiproliferative activity, especially against MCF7 and A549 cell lines, surpassing sorafenib and tamoxifen as reference drugs, with robust growth inhibition across multiple cancer cell lines. It achieved IC50 values of 1.62 μM on MCF7 and 3.65 μM on A549 cells, while also showing the highest activity against the TrkA enzyme among the synthesized derivatives (IC50 = 15.01 μM). Cellular mechanistic studies revealed that 16a induced a pronounced G1-phase arrest in MCF7 cells (79.58% vs. 59.27% in doxorubicin; the positive control), accompanied by significant promotion of both apoptosis and necrosis. This was coupled with a pronounced upregulation of pro-apoptotic proteins, including Bax, cytochrome-c, and caspase-9, together with a significant downregulation of anti-apoptotic regulators such as Bcl-2 and AKT-1 in comparison to doxorubicin. To enhance antiproliferative efficacy and optimize physicochemical properties, compounds 16a and 17b from both series were entrapped in human serum albumin nanoparticles, resulting in four optimized formulations (A16a, B16a, A17b, and B17b). Characterization via dynamic light scattering and transmission electron microscopy confirmed successful nanoparticle preparation. Substantial potency improvements were exhibited: A16a achieved a ten-fold enhancement in MCF7 cells (1.62 μM to 0.11 μM), while B17b improved activity by fourteen-fold (19.6 μM to 1.43 μM). Most formulations preserved the wide safety margin demonstrated against normal VERO cells. Collectively, these findings highlight benzimidazole derivatives, particularly 16a and 17b and their nanoparticle formulations, as promising anticancer candidates, driven primarily by strong cellular potency and favorable safety, substantiating their potential as lead candidates for further optimization and therapeutic development.

Read PDF

Similar papers

Open access Aug 2026

Integrated design, synthesis, biological evaluation, and computational mechanistic insights of novel benzanilide derivatives as VEGFR-2 targeted anticancer agents

Findings identify compound 7e as a promising VEGFR-2-targeted anticancer lead with strong enzymatic inhibition, potent cytotoxicity, and a well-supported mechanistic profile integrating experimental and computational evidence.

A. Metwaly, Walid E. Elgammal, I. Eissa et al. · 0 citations
Open access Aug 2026

Synthesis and Evaluation of Novel Piperazine Hybrids as Promising Anticancer Agents

The results revealed that the synthesised derivative 3h has potential binding affinity hence blocking the activity, and the synthesised piperazine derivatives are identified as promising lead compounds for further anticancer optimization.

Vaibhav Daund, Pooja Agarwal, A. Jain et al. · 0 citations
Jul 2026

Design, synthesis, antiproliferative evaluation, and computational studies of novel quinoline–pyrazoline hybrids against breast and ovarian cancer cell lines

Among the synthesized compounds, PBc1 exhibited the greatest in vitro antiproliferative activity against both MDA-MB-231 and SK-OV-3 cell lines, suggesting that PBc1 is a promising compound for further biological and mechanistic investigation.

Prachita Gauns Dessai, Parixit J. Bhandurge, Celina Nazareth et al. · 0 citations
Open access Jul 2026

Targeting breast cancer with 1,2,4-trioxanes: synthesis, cytotoxicity, and molecular docking insights

Density functional theory (DFT) analysis indicated that electrophilicity and electronic softness correlate with cytotoxic potency, highlighting the mechanistic relevance and therapeutic potential of 1,2,4-trioxanes as promising leads for further development as breast cancer therapeutics.

Priyanka Yadav, Monika Shukla, Suryakant Kumar et al. · 0 citations
Jul 2026

Evaluation of the Anticancer Potential of Nitro-Benzimidazole Derivatives in Breast Cancer.

The findings suggest that SN-1 exerts selective anticancer activity against both drug-sensitive and chemoresistant breast cancer cells through the regulation of apoptosis, cell cycle progression, and metabolic pathways.

Ayşe Büşranur Çelik, Kezban Uçar Çifçi, Merve Akdag et al. · 0 citations

Related blog posts

MIT News · Artificial Intelligence Aug 27, 2026

Looking beyond natural sequences

A new machine-learning framework aims to improve the success rate of computational protein design while moving away from results that reproduce sequences found in nature.

Google DeepMind Blog Nov 25, 2025

AlphaFold: Five years of impact

Explore how AlphaFold has accelerated science and fueled a global wave of biological discovery.