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.

Here, seeking to address the growing threat of multidrug-resistant bacteria (MDR). the authors used in silico virtual screening to target MDR Pseudomonas aeruginosa. They considered a key protein in its biosynthesis and virtually screened 20,000 candidates and 30 derivatives of brequinar. In the end, they identified a possible candidate with the highest degree of potential to inhibit the pathogen's lipid A synthesis.

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.

A common form of Acne is caused by a species of bacterium called Cutibacterium acnes. By using a predictive algorithm and structural analysis, the authors identified 5 small molecules with high affinity to growth factors in Catibacterium acnes. This has potential implications for supplemental skincare products.

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.

There are two types of competing TV screens on the market, organic light emitting diode (OLED) and liquid crystal display (LCD). The better capability to exhibit black results in higher contrast images. Here, authors compared the ability of the two types of screens to show black in an environment eliminating external light.

In this study, the authors conduct a survey of high school students to evaluate the effects of screen time and habits on motivation.

In this article, Choi and Rossitto investigated the limitations of virtual learning by examining in-person dance learning compared to virtual dance learning while wearing EEG headsets. They found that in-person learners outperformed virtual learners and that virtual learners had higher mirror neuron activity as assessed by Mu rhythm power.

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.

Virtual labs have been gaining popularity over the last few years, especially during the worldwide lockdown due to the COVID-19 pandemic. In this study, the suitability of virtual labs for school chemistry experiments is addressed and their effectiveness is compared to traditional physical lab experiments by focusing on physical and human resources, convenience, cost, safety, and time involved as well as topic "matter".