Current Pharmaceutical Design - Volume 32, Issue 1, 2026

Endometriosis, a prevalent women's health condition, is associated with persistent pelvic pain and infertility. Despite ongoing research, its precise disease mechanism remains elusive, impeding the discovery of a definitive cure. However, the progression of this disease is driven by three central factors, namely estrogen, progesterone, and inflammatory processes. The current work summarizes an evaluation of hormonal drug therapy in endometriosis, highlighting pathogenesis, clinical studies, and the anticipated role of AI in improving diagnostic accuracy and therapeutic results.

Current information related to endometriosis and the application of AI in its diagnosis and treatment were evaluated through an in-depth literature search in the PubMed database and Google Scholar search engine.

The current treatment modalities for this disease encompass drug therapy and surgery. In line with key contributing factors, the first-line pharmaceutical treatment revolves around progestin therapy, which involves administration either alone or in combination with a small amount of estrogen. Each medication is linked to certain drawbacks, encompassing bone loss associated with progesterone-only therapy, considerable cost implications, and heightened risks of bleeding, spotting, and drug intolerance when utilizing combined progesterone-estrogen therapy.

Many clinical studies on endometriosis are currently investigating the overall impact of the therapeutic approach involving progesterone-estrogen therapy with respect to the treatment of pelvic pain, health-related quality of life, cost-effectiveness, and tolerability. The rise of artificial intelligence and its advanced data processing capabilities present a promising opportunity to revolutionize endometriosis diagnosis and treatment by offering novel approaches.

Triple-negative breast cancer (TNBC) is an aggressive subtype characterized by the absence of estrogen and progesterone receptors (ER, PR) and low or absent HER2 expression, limiting treatment options. Quercetin, a flavonoid with anti-cancer properties, has the potential to be a therapeutic intervention.

The study aimed to explore the potential of Quercetin derivatives as therapeutic agents for TNBC using several computational methods.

The study utilized PASS prediction, molecular docking, ADMET prediction, QSAR models, MD simulations, binding free energy, and DFT calculations to evaluate the efficacy of quercetin derivatives.

ADMET analysis confirmed the solubility, non-carcinogenicity, and low toxicity of four quercetin derivatives: LM01, LM02, LM05, and LM10. These derivatives exhibited strong binding affinity against TNBC protein PPAR1, with binding energies of -10.6, -10.7, -11.4, and -10 kcal/mol, respectively. MD simulations confirmed their stability, with consistent RMSD values and favorable RMSF values. Post-simulation calculations and reduced HOMO-LUMO energy gaps further supported their potential as promising candidates.

Our computational findings suggest that quercetin derivatives, particularly LM01, LM02, and LM10, exhibit strong stability and binding affinity, positioning them as promising candidates for TNBC treatment. Further experimental validation is required to confirm their therapeutic potential.

In this study, pure and cobalt manganese-doped ZnO nanoparticles (Zn(1-x-y)MnxCoyO NPs) at varying concentrations were synthesized through sol-gel method, and zinc acetate dihydrate, manganese nitrate, cobalt acetate, and diethyl amine were used as precursors, with samples finally calcined at 700°C.

The hexagonal wurtzite structure of pure and co-doped ZnO NPs was confirmed by X-ray diffraction (XRD). The computed grain sizes of pure and co-doped ZnO NPs, according to Scherrer's formula, were 32 nm, 32.5 nm, 36.3 nm, and 36.5 nm, respectively. Scanning electron microscope (SEM) was used to observe the morphology of nanoparticles. FTIR spectroscopy was used to examine the chemical make-up and vibrational modes of pure and co-doped ZnO NPs. The bandgaps of pure and doped ZnO were examined using UV-Vis spectroscopy.

It was found that the optical bandgap of ZnO was lowered by 3.21 eV by manganese and cobalt doping. Elemental composition analysis was performed by using EDX analysis. Finally, anticancer activity of pure and co-doped ZnO NPs was assessed by employing MTT assay, which indicated that Zn0.8 Mn0.1 Co0.1O NPs showed significant anticancer results against liver cancer (HepG2) cells as compared to ZnO, Zn0.98 Mn0.01Co0.01O and Zn0.90 Mn0.05 Co0.05O NPs. Moreover, Zn0.8 Mn0.1 Co0.1O NPs showed low toxicity and good biocompatibility comparable to doxorubicin (DOX).

Comprehensive experimental findings have demonstrated an authentic way of obtaining feasible in vivo liver cancer therapy.