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The authors computationally screened potential ALDH1 inhibitors, for use as potential cancer therapeutics.

Here, based on the identification of androgapholide as a potential therapeutic treatment against cancer, Alzheimer's disease, diabetes, and multiple sclerosis, due to its ability to inhibit a signaling pathway in immune system function, the authors sought ways to optimize the natural product human systems by manipulating its chemical structure. Through the semisynthesis of a natural product along with computational studies, the authors developed an understanding of the kinetic mechanisms of andrographolide and semisynthetic analogs in the context of Michael additions.

The authors employ computational protein design to identify a mini-protein with the potential to enhance binding of the tight junction protein, claudin-5, at the blood-blood barrier with therapeutic potential for neurodegenerative diseases.

The authors use molecular modeling to test analogs of the stearoyl-coenzyme A desaturase 1 (SCD1) inhibitor MF-438 with implications for future development of Parkinson's disease therapeutics.

This article investigates differences in gene expression in the brains of patients with and without Parkinson's disease. The authors identify a crucial transcriptional regulator may be a relevant target for future therapeutic treatment for Parkinson's disease.

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.

Neuroinflammation and oxidative stress are both known to play a role in the occurrence and severity of seizures. This study tested effects of oxidative stress from seizures by evaluating the longevity, egg-laying, and electroshock resilience of C. elegans. Results revealed that oxidative stress and neuroinflammation diminish longevity and reproductivity while also increasing recovery time after seizures in C. elegans. This research can help lead to future studies and may also lead to finding new therapeutics for epilepsy.

Here, seeking to better understand the roles of glycans in the receptors of active sites of neuronal cells, the authors used molecular dynamics simulations to to uncover the dynamic nature of N-glycans on membrane proteins. The authors suggest the study of theinteractions of these membrane poreins could provide future potential therapeutic targets to treat mental diseases.

The authors use HF-1, an herbal formation, on bone marrow derived cells as well as breast cancer cells to assess HF-1's ability to prevent tumorigenesis. As metastasis requires coordination of multiple cells in the tumor microenvironment, their findings that HF-1 augments cytokine expression such as VEGF & TGF-B show that HF-1 has potential application to therapeutics.

In this study, the authors investigated the time-dependent cytokine secretion ability of phyto-hemagglutinin (PHA)-activated T cells derived from human peripheral (PB) and cord blood (CB). They hypothesized that the anti-inflammatory cytokine, IL-10, and pro-inflammatory cytokine, TNFα, levels would be higher in PHA-activated T cells obtained from PB as compared to the levels obtained from CB and would decrease over time. Upon PHA-activation, the IL-10 levels were relatively high while the TNFα levels decreased, making these findings applicable in therapeutic treatments e.g., rheumatoid arthritis, psoriasis, and organ transplantation.