Browse Articles

Computational development of aryl sulfone compounds as potential NNRTIs

Zhang et al. | Oct 12, 2022

Computational development of aryl sulfone compounds as potential NNRTIs

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.

Read More...

Using explainable artificial intelligence to identify patient-specific breast cancer subtypes

Suresh et al. | Jan 12, 2024

Using explainable artificial intelligence to identify patient-specific breast cancer subtypes

Breast cancer is the most common cancer in women, with approximately 300,000 diagnosed with breast cancer in 2023. It ranks second in cancer-related deaths for women, after lung cancer with nearly 50,000 deaths. Scientists have identified important genetic mutations in genes like BRCA1 and BRCA2 that lead to the development of breast cancer, but previous studies were limited as they focused on specific populations. To overcome limitations, diverse populations and powerful statistical methods like genome-wide association studies and whole-genome sequencing are needed. Explainable artificial intelligence (XAI) can be used in oncology and breast cancer research to overcome these limitations of specificity as it can analyze datasets of diagnosed patients by providing interpretable explanations for identified patterns and predictions. This project aims to achieve technological and medicinal goals by using advanced algorithms to identify breast cancer subtypes for faster diagnoses. Multiple methods were utilized to develop an efficient algorithm. We hypothesized that an XAI approach would be best as it can assign scores to genes, specifically with a 90% success rate. To test that, we ran multiple trials utilizing XAI methods through the identification of class-specific and patient-specific key genes. We found that the study demonstrated a pipeline that combines multiple XAI techniques to identify potential biomarker genes for breast cancer with a 95% success rate.

Read More...

Estimation of cytokines in PHA-activated mononuclear cells isolated from human peripheral and cord blood

Subbiah et al. | Mar 09, 2022

Estimation of cytokines in PHA-activated mononuclear cells isolated from human peripheral and cord blood

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.

Read More...

The novel function of PMS2 mutation on ovarian cancer proliferation

Cho et al. | Dec 18, 2022

The novel function of <em>PMS2</em> mutation on ovarian cancer proliferation

With disruption of DNA repair pathways pertinent to the timeline of cancer, thorough evaluation of mutations relevant to DNA repair proteins is crucial within cancer research. One such mutation includes S815L PMS2 - a mutation that results in significant decrease of DNA repair function by PMS2 protein. While mutation of PMS2 is associated with significantly increased colorectal and endometrial cancer risk, much work is left to do to establish the functional effects of the S815L PMS2 mutation in ovarian cancer progression. In this article, researchers contribute to this essential area of research by uncovering the tumor-progressive effects of the S815L PMS2 mutation in the context of ovarian cancer cell lines.

Read More...

Effect of the Herbal Formulation HF1 on the Expression of PD-L1 in PC3 cells

Imani et al. | Nov 15, 2019

Effect of the Herbal Formulation HF1 on the Expression of PD-L1 in PC3 cells

In this study, Imani et al. investigate whether a new proprietary herbal formulation, HF1, can inhibit expression of immune suppressor protein PD-L1. PD-L1 is a transmembrane protein that can be expressed by cancer cells to assist in their ability to avoid attacks from the immune system. Work from this study demonstrates that HF1 treatment can reduce expression of PD-L1 in cultured cancer cells, implicating HF1 as a potential new cancer therapy.

Read More...

Anticancer, anti-inflammatory, and apoptotic activities of MAT20, a poly-herbal formulation.

Kashyap Jha et al. | Mar 29, 2022

Anticancer, anti-inflammatory, and apoptotic activities of MAT20, a poly-herbal formulation.

Kashyap Jha et al. look at the formulation of MAT20, a crude extract of the moringa, amla, and tulsi leaves, as a potential complementary and alternative medicine. Using HeLa cells, they find MAT20 up-regulates expression of inflammation and cell cytotoxicity markers. Their data is important for understanding the anti-cancer and anti-inflammatory properties of MAT20.

Read More...

Search Articles

Search articles by title, author name, or tags

Clear all filters

Popular Tags

Browse by school level