One-Pot Synthesis of Naphthalen-2-Thiazolidinones as Potential Breast Cancer Therapeutics: An Integrative Approach Using Network Pharmacology, Biomolecular Simulations and in Vitro Evaluation
Aug 2026· Journal of Pharmaceutical Innovation· Vol 22· 0 citations· 86 references
TL;DR
Overall, the moderate promising leads of NT1 and NT9 emerged with dual-target potential for breast cancer, supporting further optimization and preclinical assessment.
This in silico study suggests that CMBA warrants further investigation as a potential lead compound for breast cancer–related drug discovery, however, further experimental validation through in vitro and in vivo studies is required to confirm its predicted biological activity and therapeutic relevance.
A. Manikumar, K. M. M. Sheriff, Aravinth Annamalai et al.· Journal of Pharmaceutical In...· 0 citations
Findings highlight quinoline–triazole hybrid SVI08 as a preliminary lead to the further optimization as a VEGFR-2-targeted anticancer agents as well as acceptable ADMET properties and good in vivo tolerability up to 50 mg/kg.
Divyanshi Thakur, Mangaldip Ghosh, Shivam Nag et al.· In Silico Pharmacology· 0 citations
PB1-3 represents a promising prenylated coumarin lead that orchestrates both CDK4/6-Rb cell cycle checkpoint blockade and ROS-dependent mitochondrial apoptosis, offering a valuable scaffold for developing targeted breast cancer therapies, especially for TNBC.
Xinyao Pan, Shiyu Wang, Kaifeng Lai et al.· Bioorganic chemistry (Print)· 0 citations
It is demonstrated that benzofuran-furan-pyrano[2,3-c]pyrazole hybrids possess promising multifaceted in vitro anticancer activity by inhibiting cancer cell proliferation, migration, invasion, and clonogenicity while inducing ROS-mediated mitochondrial apoptosis, highlighting these hybrid scaffolds as attractive candid...
E. Hutanu, Bassam A. Najri, A. Abdelsalam et al.· RSC Advances· 0 citations
A new series of quinoline-diphenylpyrazole hybrids were rationally designed, synthesized, and biologically evaluated as potential EGFR/VEGFR-2/COX-2 inhibitors, supporting the proposed hybrid design strategy.
Abdelrahman Hamdi, Mohamed R. Elnagar, M. Hussein et al.· Bioorganic chemistry (Print)· 0 citations
Findings establish compound 12 as a promising lead candidate for the development of new anti-colorectal cancer agents and provide mechanistic insights into the interplay between COX-2 inhibition, inflammatory modulation, and apoptosis induction in inflammation-associated colorectal carcinogenesis.