The escalating global burden of cancer has spurred extensive research and development efforts aimed at discovering effective anti-cancer agents. However, the prohibitively high costs associated with developing novel drugs remain a formidable challenge. This paper describes a cost-effective approach, drug repositioning, which repurposes approved drugs for novel therapeutic indications, offering a promising solution to this dilemma. We present a comprehensive review of computational strategies employed in cancer drug repositioning, with a particular focus on machine learning. In recent years, the integration of bioinformatics technologies with multi-omics data has significantly advanced the field of cancer drug repurposing. In particular, machine learning and deep learning techniques have been instrumental in driving substantial progress in this area. This review summarizes the current application of traditional computational methods alongside machine learning in drug repositioning, highlighting the great potential of machine learning, both independently and in synergy with other bioinformatics-based approaches. The insights provided here offer valuable reference for further integration of computational strategies into the research and development of cancer therapies.

Objective: To investigate the effects of Lianggu decoction combined with Gonal-F on the outcomes of in vitro fertilization and embryo transfer (IVF-ET) outcomes in infertility patients, including embryo quality and pregnancy outcomes.

Methods: A total of 205 patients receiving IVF-ET treatment for infertility at our hospital from June 2022 to January 2024 were selected for the study. Patients were randomly divided into the observation group (102 cases) and the control group (103 cases). The control group received IVF-ET following the conventional Early-Follicular Phase Long-Acting Gonadotropin-Releasing Hormone Agonist Long Protocol (EFLL) therapy, while the observation group was additionally treated with Lianggu decoction to promote ovulation in conjunction with the same regimen. The clinical efficacy, traditional Chinese medicine (TCM) syndrome scores, sex hormone levels at various time points, ovulation induction and oocyte retrieval outcomes, in vitro fertilization results, pregnancy outcomes, and adverse reactions were compared between the two groups.

Results: The total effective rate in the observation group (92.2 %) was significantly higher than that in the control group (75.7 %) (P < 0.05). The TCM syndrome scores in the observation group were significantly lower than those in the control group (P < 0.05). The levels of estrogen (E2), LH, and progesterone (P) at baseline were significantly higher compared to those on HCG day in both groups (P < 0.05). Furthermore, on HCG day, the levels of E2, LH, and P in the observation group were significantly higher than those in the control group (P < 0.05). The observation group had a significantly lower Gn usage duration and total Gn dosage, along with a higher metaphase II (MII) oocyte rate, compared to the control group (P < 0.05), while there were no significant differences in endometrial thickness or oocyte retrieval rates between the two groups (P > 0.05). The fertilization rate, 2-pronucleus (2PN) formation rate, good-quality embryo rate, blastocyst formation rate, and implantation rate were significantly higher in the observation group compared to the control group (P < 0.05), but there was no significant difference in the 2PN cleavage rate between the two groups (P > 0.05). The clinical pregnancy rate and live birth rate in the observation group were significantly higher, and the miscarriage rate was significantly lower than those in the control group (P < 0.05). There was no significant difference in the incidence of adverse reactions between the two groups (P > 0.05).

Conclusion: Lianggu decoction combined with Gonal-F can significantly improve TCM syndromes in infertility patients undergoing IVF-ET, promote ovulation, increase clinical pregnancy rates, reduce miscarriage rates, and demonstrate good safety.

Objective: To explore the mechanism of action of Kuntai capsule in the treatment of endometriosis (EMT).

Methods: The active components and corresponding targets of Kuntai capsule were obtained from the TCMSP, BATMAN-TCM, Pubchem, and SwissTargetPrediction databases. EMT-related disease targets were retrieved from GeneCards, DisGeNET, TTD, OMIM, and Drugbank. A Venn diagram was employed to identify the intersection targets of Kuntai capsule and EMT. The disease-component-target network was constructed using Cytoscape, and the common target protein-protein interaction (PPI) network was built using the STRING database. Topological analysis of the PPI network was performed using Cytoscape to screen for core targets. Gene Ontology (GO) enrichment and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analyses were performed using the DAVID database. Molecular docking was performed with AutoDockTools. The stability of the optimal binding energy model was further validated using GROMACS molecular dynamics simulations.

Results: A total of 182 common targets were identified. The core components included sitosterol, panicolin, and rivularin. Among them, TNF, GAPDH, and AKT1 were found to play significant roles in the biological network of Kuntai capsule in treating EMT. These core targets are primarily involved in processes such as the negative regulation of apoptosis pathway and oncogenic pathway such as the PI3K-Akt signaling, which plays a therapeutic role in EMT. Molecular docking and molecular dynamics simulations further confirmed the stable and tight binding of sitosterol to AKT1.

Conclusion: Kuntai capsule may exert therapeutic effects in EMT by activating multiple signaling pathways through the regulation of core targets such as TNF. These findings not only enhance our understanding of the mechanism of action of Kuntai capsule but also provides new insights into the potential clinical applications of traditional Chinese medicine (TCM) in EMT treatment. Future research can further explore how TCM drugs can intervene in the pathological processes of EMT.

Sulfamethoxazole compound, a combination of sulfamethoxazole and trimethoprim, is commonly prescribed to organ transplant recipients for infections caused by Nocardia, Burkholderia cepacia, and Pneumocystis jirovecii. The intricate pharmacokinetics and pharmacodynamics of this compound pose challenges in achieving optimal therapeutic drug levels. Therefore, monitoring the plasma concentration of this compound drug is necessary. To address this need, we have developed a rapid and straightforward dual-quaternary two-dimensional high-performance liquid chromatography (2D-HPLC) method for the simultaneous quantification of sulfamethoxazole and trimethoprim. This technique involves a one-step protein precipitation procedure, with the initial stage utilizing a solid-phase extraction column followed by an analytical column for the subsequent stage. Detection is achieved using a dual-quaternary 2D-HPLC system. Calibration curves for both sulfamethoxazole and trimethoprim were constructed, and the method underwent thorough validation in accordance with the Chinese Pharmacopoeia (Ch.P) standards, demonstrating remarkable accuracy and precision. This technique has been effectively employed for routine therapeutic drug monitoring (TDM) in organ transplant patients and other individuals requiring medical intervention.

Objective: To investigate the impact of donepezil on emotional responses, cognitive function, and inflammatory factors in patients with Hashimoto's thyroiditis (HT).

Methods: A total of 109 patients with Hashimoto's thyroiditis treated in the Department of Endocrinology at Huangshan Shoukang Hospital between February 2021 and May 2024 were selected for this study. The patients were randomly divided into a treatment group (n = 54) and a control group (n = 55) using a random number table. The treatment group was administered donepezil hydrochloride tablets and vitamin C tablets orally in the morning on an empty stomach, while the control group received only vitamin C tablets under the same conditions. Both groups followed this regimen for three months. Outcomes were assessed using the Mini-Mental State Examination (MMSE), Self-Rating Anxiety Scale (SAS), Self-Rating Depression Scale (SDS), thyroid hormone levels, and inflammatory markers.

Results: There were no statistically significant differences in thyroid hormone levels (T3, T4, TSH) or thyroid antibodies (TGAb, TPOAb) between the two groups before or after treatment (P > 0.05). Prior to treatment, MMSE, SAS, and SDS scores were comparable between the groups (P > 0.05). After treatment, MMSE scores in the treatment group were significantly higher, while SAS and SDS scores were significantly lower compared to the control group (P < 0.05). Additionally, no baseline differences in inflammatory factors were observed (P > 0.05), but after treatment, serum levels of IL-6, IL-4, IL-1β, and TNF-α were significantly lower in the treatment group compared to the control group (P < 0.05).

Conclusion: Donepezil can improve cognitive function and emotional responses in patients with Hashimoto's thyroiditis, which may be related to the downregulation of key inflammatory factors.