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As cancer continues to take millions of lives worldwide, the need to create effective therapeutics for the disease persists. The kinesin Eg5 assembly motor protein is a promising target for cancer therapeutics as inhibition of this protein leads to cell cycle arrest. Monastrol, a small dihydropyrimidine-based molecule capable of inhibiting the kinesin Eg5 function, has attracted the attention of medicinal chemists with its potency, affinity, and specificity to the highly targeted loop5/α2/α3 allosteric binding pocket. In this work, we employed high-throughput virtual screening (HTVS) to identify potential small molecule Eg5 inhibitors from a designed set of novel dihydropyrimidine analogs structurally similar to monastrol.

This experiment assessed the effectiveness of a virtual environment as a method of exposure in the treatment of high school students’ public speaking anxiety. The results show that participants’ heartbeat was higher when they wore a VR headset than when they did not.

Here, seeking to understand how the COVID-19 pandemic affected the social interactions of junior high school students, the authors surveyed students, teachers, and parents. Contrary to their initial hypotheses, the authors found positive correlation between increased virtual contact during social isolation and in-person conflict and disregard for social norms after the pandemic. While the authors identified the limitations of their study, they suggest that further research into the effect of online interactions is becoming increasingly important.

In this study, the authors use high-throughput virtual screening to design and evaluate a set of non-nucleoside reverse transcriptase inhibitors for binding affinity to the protein reverse transcriptase. These studies have important applications toward HIV therapies.

The authors demonstrate computationally that two types of nanoplastics can bind to estrogen receptor beta and potentially disrupt endocrine systems.

The authors looked at the ability subjects to rotation a 4D cube and how the ability to practice cube rotation impact their ability to understand 4D space.

Molecules which bind to proteins that aggregate abnormally in neurodegenerative diseases could be promising drugs for these diseases. In this study, Zhang, Wu, Zhang, and Dang simulate the binding behavior of various molecules to screen for candidates which could be promising candidates for drug development.

In this study, the authors investigate the antibacterial efficacy of penicillin G and its analogs amoxicillin, carbenicillin, piperacillin, cloxacillin, and ampicillin, against four species of bacteria. Results showed that all six penicillin-type antibiotics inhibit Staphylococcus epidermidis, Escherichia coli, and Neisseria sicca with varying degrees of efficacy but exhibited no inhibition against Bacillus cereus. Penicillin G had the greatest broad-spectrum antibacterial activity with a high radius of inhibition against S. epidermidis, E. coli, and N. sicca.

Berberine, a natural product alkaloid, and its analogs have a wide range of medicinal properties, including antibacterial and anticancer effects. Here, the authors explored a library of alkyl or aryl berberine analogs to probe binding to double-stranded and G-quadruplex DNA. They determined that the nature of the substituent, the position of the substituent, and the nucleic acid target affect the free energy of binding of berberine analogs to DNA and G-quadruplex DNA, however berberine analogs did not result in net stabilization of G-quadruplex DNA.

The "Uncanny Valley" is a phenomenon in which humans feel discomfort in the presence of objects that are almost, but not quite, human-like. In this study, the authors tested whether this phenomenon could be overcome by sharing a stressful experience with a humanoid robot. They found that human subjects more readily accepted a robot partner that they had previously shared a stressful experience with, suggesting a potential method for increasing the effectiveness of beneficial human-robot interactions by reducing the Uncanny Valley effect.