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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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Testing Simarouba amara’s therapeutic effects against weedicide-induced tumor-like morphology in planarians

Thiagarajan et al. | Apr 26, 2024

Testing Simarouba amara’s therapeutic effects against weedicide-induced tumor-like morphology in planarians

According to the World Health Organization, cancer is a leading cause of death globally. The disease’s prevalence is rapidly increasing in association with factors including the increased use of pesticides and herbicides, such as glyphosate, which is one of the most widely used herbicide ingredients. Natural antioxidants and phytochemicals are being tested as anti-cancer agents due to their antiproliferative, antioxidative, and pro-apoptotic properties. Thus, we aimed to investigate the potential role of S. amara extract as a therapeutic agent against glyphosate-induced toxicity and tumor-like morphologies in regenerating and homeostatic planaria (Dugesia dorotocephala).

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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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Comparing the Effects of Different Natural Products on Reducing Tumor Growth in a Drosophila Model

Ganesh et al. | May 31, 2020

Comparing the Effects of Different Natural Products on Reducing Tumor Growth in a <i>Drosophila</i> Model

In this work, the authors compared the effects of common natural products, including sesame, cinnamon, garlic, moringa and turmeric on tumor growth in Drosophila eyes. The data showed that these natural products cannot be used to reduce tumor growth once it has completely formed. However, the data suggested that some natural products can reduce cancer cell growth when tumors are treated early.

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Synthesis of a novel CCR1 antagonist for treatment of glioblastoma

Jan et al. | May 05, 2021

Synthesis of a novel CCR1 antagonist for treatment of glioblastoma

Glioblastoma is a brain cancer caused by the presence of a fast-growing, malignant tumor in the brain. As of now, this cancer is universally lethal due to lack of efficacious treatment options. C-C chemokine receptor 1 (CCR1) is a G-protein coupled receptor that controls chemotaxis, the movement of cells in response to chemical stimuli. This research aims to synthesize potential CCR1 antagonists by coupling carboxylic acids with a triazole core. We synthesized these compounds using a simple carboxylic acid coupling and confirmed the identity of the final compounds using nuclear magnetic resonance (NMR) spectroscopy.

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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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Assessing the Efficacy of NOX Enzyme Inhibitors as Potential Treatments for Ischemic Stroke in silico

Vinay et al. | Sep 18, 2020

Assessing the Efficacy of NOX Enzyme Inhibitors as Potential Treatments for Ischemic Stroke <i>in silico</i>

Ischemic stroke occurs when blood flow to the brain is interrupted, causing brain damage. This study investigated the effectiveness of different NOX inhibitors as treatments for ischemic stroke in silico. The results help corroborate previous in vivo and in vitro studies in an in silico format, and can be used towards developing drugs to treat ischemic stroke.

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A Novel Approach to Prevent and Restrict Early Stages of Cancer Cell Growth Using a Combination of Moringa and Sesame in a Drosophila Model

Ganesh et al. | Sep 28, 2020

A Novel Approach to Prevent and Restrict Early Stages of Cancer Cell Growth Using a Combination of Moringa and Sesame in a <em>Drosophila</em> Model

Sesame (Sesamum indicum) and moringa (Moringa oleifera) have natural antioxidants that could prevent cancer growth. Previously, this group found that sesame and moringa individually suppress eye tumor grown in the Drosophila melanogaster model. In the present study, combinations of sesame and moringa at different concentrations were included in the D. melanogaster diet. The impact on eye tumor development was assessed at different stages of growth.

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