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Validating DTAPs with large language models: A novel approach to drug repurposing

Curtis et al. | Mar 02, 2025

Validating DTAPs with large language models: A novel approach to drug repurposing
Image credit: Growtika

Here, the authors investigated the integration of large language models (LLMs) with drug target affinity predictors (DTAPs) to improve drug repurposing, demonstrating a significant increase in prediction accuracy, particularly with GPT-4, for psychotropic drugs and the sigma-1 receptor. This novel approach offers to potentially accelerate and reduce the cost of drug discovery by efficiently identifying new therapeutic uses for existing drugs.

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Combating drug resistance in cancer cells: Cooperative effect of green tea and turmeric with chemotherapeutic drug

Nair et al. | Jul 27, 2020

Combating drug resistance in cancer cells: Cooperative effect of green tea and turmeric with chemotherapeutic drug

The major drawback of chemotherapy regimens for treating cancer is that the cancerous cells acquire drug resistance and become impervious to further dose escalation. Keeping in mind the studied success of herbal formulations with regard to alternative treatments for cancer, we hypothesized that the use of a chemotherapeutic drug and proprietary herbal formulation, HF1, would combat this phenomenon when administered with common chemotherapeutic drug 5FU. Results demonstrated a cooperative effect between HF1 and 5FU on the drug resistant cell line, implying that administration of HF1 with 5FU results in cell death as measured by MTT assay.

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pH-dependent drug interactions with acid reducing agents

Lin et al. | Nov 12, 2024

pH-dependent drug interactions with acid reducing agents
Image credit: The authors

Some cancer treatments lose efficacy when combined with treatments for excessive stomach acid, due to the changes in the stomach environment caused by the stomach acid treatments. Lin and Lin investigate information on oral cancer drugs to see what information is available on interactions of these drugs.

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Developing anticholinergic drugs for the treatment of asthma with improved efficacy

Wong et al. | Jul 05, 2023

Developing anticholinergic drugs for the treatment of asthma with improved efficacy
Image credit: Wong et al.

Anticholinergics are used in treating asthma, a chronic inflammation of the airways. These drugs block human M1 and M2 muscarinic acetylcholine receptors, inhibiting bronchoconstriction. However, studies have reported complications of anticholinergic usage, such as exacerbated eosinophil production and worsened urinary retention. Modification of known anticholinergics using bioisosteric replacements to increase efficacy could potentially minimize these complications. The present study focuses on identifying viable analogs of anticholinergics to improve binding energy to the receptors compared to current treatment options. Glycopyrrolate (G), ipratropium (IB), and tiotropium bromide (TB) were chosen as parent drugs of interest, due to the presence of common functional groups within the molecules, specifically esters and alcohols. Docking score analysis via AutoDock Vina was used to evaluate the binding energy between drug analogs and the muscarinic acetylcholine receptors. The final results suggest that G-A3, IB-A3, and TB-A1 are the most viable analogs, as binding energy was improved when compared to the parent drug. G-A4, IB-A4, IB-A5, TB-A3, and TB-A4 are also potential candidates, although there were slight regressions in binding energy to both muscarinic receptors for these analogs. By researching the effects of bioisosteric replacements of current anticholinergics, it is evident that there is a potential to provide asthmatics with more effective treatment options.

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Fitness social media is positively associated with the use of performance-enhancing drugs among young men

Tamaki et al. | Feb 01, 2024

Fitness social media is positively associated with the use of performance-enhancing drugs among young men
Image credit: Samuel Girven

Here the authors investigated the relationship between fitness-related social media and the high usage of performance-enhancing drugs (PEDs) specifically by men in the US age 18-35. In a survey with 149 participants they identified that young men that use fitness-related social media are more likely to use PEDs. Their results suggest the necessity to consider potential risk behaviors which may be related to social media consumption.

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