With advancements in machine learning a large data scale, high throughput virtual screening has become a more attractive method for screening drug candidates. This study compared the accuracy of molecular descriptors from two cheminformatics Mordred and PaDEL, software libraries, in characterizing the chemo-structural composition of 53 compounds from the non-nucleoside reverse transcriptase inhibitors (NNRTI) class. The classification model built with the filtered set of descriptors from Mordred was superior to the model using PaDEL descriptors. This approach can accelerate the identification of hit compounds and improve the efficiency of the drug discovery pipeline.

In this study, the authors investigate associations between use of histamine H₂ receptor antagonists and suicidal ideation in different age groups.

Acquired drug resistance is an increasing challenge in treating cancer with chemotherapy. One mechanism
behind this resistance is the increased inflammation that supports the progression and development of
cancer that arises because of the drug’s presence. Integrative oncology is the field that focuses on including natural products alongside traditional therapy to create a treatment that focuses on holistic patient well-being.
In this study, the authors demonstrate that the use of an herbal formulation, consisting of turmeric and green tea, alongside a traditional chemotherapeutic drug, 5-fluorouracil (FU) significantly decreases the level of cytokines produced in breast cancer cells when compared to the levels produced when exposed solely to the chemo drug. The authors conclude that this combination of treatment, based on the principle of integrative oncology, shows potential for reducing the resistance against treatment conferred through increased inflammation. Consequently, this suggests a prospective way forward in improving the efficacy of cancer treatment.

Here the authors investigated the role of agricultural fertilizers as potential contributors to greenhouse gas emissions. In contrast to the typical investigations that consider microbiological processes, the authors considered purely chemical processes. Based on their results they found that as much as 20.41% of all CO₂ emission from land-based activities could be a result of mineral nitrogen fertilizers.

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.

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.

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.

Here, seeking to develop more efficient solar cells, the authors investigated photo-electrochemical (PEC) solar cells, specifically molybdenum diselenide (MoSe₂) based on its high resistance to corrosion. They found that the percentage efficiency of these PEC solar cells was proportional to light intensity^–0.9 and that performance was positively influenced by increasing the electrolyte volume. They suggest that studies such as these can lead to new insight into reaction-based solar cells.

Caenorhabditis elegans xpa-1 and him-1 are orthologs of human XPA and human SMC1A, respectively. Mutations in the XPA are correlated with Xeroderma pigmentosum, a condition that induces hypersensitivity to ultraviolet (UV) radiation. Alternatively, SMC1A mutations may lead to Cornelia de Lange Syndrome, a multi-organ disorder that makes patients more sensitive to UVinduced DNA damage. Both C. elegans genes have been found to be involved in protection against UV radiation, but their combined effects have not been tested when they are both knocked down. The authors hypothesized that because these genes are involved in separate pathways, the simultaneous knockdown of both of these genes using RNA interference (RNAi) in C. elegans will cause them to become more sensitive to UV radiation than either of them knocked down individually. UV protection was measured via the percent survival of C. elegans post 365 nm and 5.4x10-19 joules of UV radiation. The double xpa-1/him-1 RNAi knockdown showed a significantly reduced percent survival after 15 and 30 minutes of UV radiation relative to wild-type and xpa-1 and him-1 single knockdowns. These measurements were consistent with their hypothesis and demonstrated that xpa-1 and him-1 genes play distinct roles in resistance against UV stress in C. elegans. This result raises the possibility that the xpa-1/him-1 double knockdown could be useful as an animal model for studying the human disease Xeroderma pigmentosum and Cornelia de Lange Syndrome.

The authors experimented with several commonly available alkaline spices (turmeric, cayenne pepper, and cinnamon) to study their antimicrobial properties, hypothesizing that alkaline spices would have antimicrobial activity. Results showed a zone of inhibition of bacterial growth, with the largest zone of inhibition being around turmeric, followed by cayenne pepper, and the smallest around cinnamon. These results are impactful, as common alkaline spices generally do show antibacterial properties and both bacteriostatic and bactericidal effects correlated with degree of alkalinity.