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Non-nucleoside reverse transcriptase inhibitors (NNRTIs) are allosteric inhibitors that bind to the HIV reverse transcriptase and prevent replication. Indolyl aryl sulfones (IAS) and IAS derivatives have been found to be highly effective against mutant strains of HIV-1 reverse transcriptase. Here, we analyzed molecules designed using aryl sulfone scaffolds paired to cyclic compounds as potential NNRTIs through the computational design and docking of 100 novel NNRTI candidates. Moreover, we explored the specific combinations of functional groups and aryl sulfones that resulted in the NNRTI candidates with the strongest binding affinity while testing all compounds for carcinogenicity. We hypothesized that the combination of an IAS scaffold and pyrimidine would produce the compounds with the best binding affinity. Our hypothesis was correct as the series of molecules with an IAS scaffold and pyrimidine exhibited the best average binding affinity. Additionally, this study found 32 molecules designed in this procedure with higher or equal binding affinities to the previously successful IAS derivative 5-bromo-3-[(3,5-dimethylphenyl)sulfonyl]indole-2-carboxyamide when docked to HIV-1 reverse transcriptase.

Glioblastoma Multiforme (GBM) is the most malignant brain tumor with the highest fraction of genome alterations (FGA), manifesting poor disease-free status (DFS) and overall survival (OS). We explored The Cancer Genome Atlas (TCGA) and cBioportal public dataset- Firehose legacy GBM to study DNA repair genes Activating Signal Cointegrator 1 Complex Subunit 3 (ASCC3) and Alpha-Ketoglutarate-Dependent Dioxygenase AlkB Homolog 3 (ALKBH3). To test our hypothesis that these genes have correlations with FGA and can better determine prognosis and survival, we sorted the dataset to arrive at 254 patients. Analyzing using RStudio, both ASCC3 and ALKBH3 demonstrated hypomethylation in 82.3% and 61.8% of patients, respectively. Interestingly, low mRNA expression was observed in both these genes. We further conducted correlation tests between both methylation and mRNA expression of these genes with FGA. ASCC3 was found to be negatively correlated, while ALKBH3 was found to be positively correlated, potentially indicating contrasting dysregulation of these two genes. Prognostic analysis showed the following: ASCC3 hypomethylation is significant with DFS and high ASCC3 mRNA expression to be significant with OS, demonstrating ASCC3’s potential as disease prediction marker.

Inefficient penetration of cancer drugs into the interior of the three-dimensional (3D) tumor tissue limits drugs' delivery. The authors hypothesized that the addition of phospholipase A2 (PLA2) would increase the permeability of the drug doxorubicin for efficient drug penetration. They found that 1 mM PLA2 had the highest permeability. Increased efficiency in drug delivery would allow lower concentrations of drugs to be used, minimizing damage to normal cells.

Every year, more than 30% of food products go to waste. This is approximately 1.3 billion tons of food, which is equivalent to 1.3 trillion U.S. dollars. While conventional solid waste treatments and fertilization of food waste are common, citrus fruit peels require secondary applications and advanced disposal management due to their low pH values and high antimicrobial characteristics. Since citrus fruits are well-known sources of vitamin C and antioxidants, we hypothesized that their peels also contain high amounts of vitamin C and antioxidants. In our study, five common citrus peels including grapefruit, lemon, lime, orange, and tangerine, were used to determine the amounts of vitamin C and total soluble antioxidants.

Though current strategies in counterterrorism are somewhat effective, the Simultaneous Attack/Persistent Pursuit (SAPP) Theory may be superior alternative to current methods. The authors simulated five attack strategies (1 SAPP and 4 non-SAPP), and concluded that the SAPP model was significantly more effective in reducing the final number of terrorist attacks. This demonstrates the comparative advantage of utilizing the SAPP model, which may prove to be critical in future efforts in counterterrorism.

The current five-year survival rate of metastasized prostate cancer is only 30% and occurs in every one in nine men. Researchers have shown that people with a type of dwarfism called Laron’s Syndrome are immune to cancer due to their low levels of insulin-like growth factor-1 (IGF-1). For this reason, experimentally modifying the level of IGF-1 could provide better insight into whether lowering the levels of IGF-1 in prostate cancer cell lines (e.g. PC-3) could be an effective treatment to reduce their rates of proliferation and migration and increase apoptosis. We selected three compounds, which researchers have shown decrease IGF-1 levels, to test and combine to determine which is the most promising.

Acquired immunodeficiency syndrome (AIDS) is a life-threatening condition caused by the human immunodeficiency virus (HIV). In this work, Takemaru et al explored the role of Coiled-Coil Domain-Containing 11 (CCDC11) in HIV-1 budding. Their results suggest that CCDC11 is critical for efficient HIV-1 budding, potentially indicating CCDC11 a viable target for antiviral therapeutics without major side effects.

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.

The challenge of accurately identifying shark species is crucial for biodiversity monitoring but is often hindered by time-consuming and labor-intensive manual methods. To address this, SharkNet, a CNN model based on AlexNet, achieved 93% accuracy in classifying shark species using a limited dataset of 1,400 images across 14 species. SharkNet offers a more efficient and reliable solution for marine biologists and conservationists in species identification and environmental monitoring.

With climate change and rising sea levels, south Brooklyn is exposed to massive flooding and intense precipitation. Previous research discovered that flooding shifts plant species distribution, decreases soil pH, and increases salt concentration, nitrogen, phosphorus, and potassium levels. The authors predicted a decreasing trend from Zone 1 to 6: high-pH, high-salt, and high-nutrients in more flood-prone areas to low-pH, low-salt, and low-nutrient in less flood-prone regions. They performed DNA barcoding to identify plant species inhabiting flood zones with expectations of decreasing salt tolerance and moisture uptake by plants' soil from Zones 1-6. Furthermore, they predicted an increase in invasive species, ultimately resulting in a decrease in biodiversity. After barcoding, they researched existing information regarding invasiveness, ideal soil, pH tolerance, and salt tolerance. They performed soil analyses to identify pH, nitrogen (N), phosphorus (P), and potassium (K) levels. For N and P levels, we discovered a general decreasing trend from Zone 1 to 6 with low and moderate statistical significance respectively. Previous studies found that soil moisture can increase N and P uptake, helping plants adopt efficient resource-use strategies and reduce water stress from flooding. Although characteristics of plants were distributed throughout all zones, demonstrating overall diversity, the soil analyses hinted at the possibility of a rising trend of plants adapting to the increase in flooding. Future expansive research is needed to comprehensively map these trends. Ultimately, investigating trends between flood zones and the prevalence of different species will assist in guiding solutions to weathering climate change and protecting biodiversity in Brooklyn.