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Plants in the wild compete with each other for nutrients and sunlight. Kudzu is a weed that is thought to secrete compounds that inhibit the growth of other plants. Here the authors find that certain parts of kudzu plants can block the germination of clover and dandelion seeds. These experiments may lead to a weed killer that is safe and naturally derived.

Athletes with performance anxiety may struggle to play their best and enjoy the game. Various factors may impact how much anxiety an athlete feels, including how much experience they have in the sport. Concha-Ortiz and Navins survey teenage club volleyball players to look for relationships between years of experience and performance anxiety symptoms.

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.

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.

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.

In this study, the impact of fluorination of heterocyclic drug Allopurinol on its stability and other chemical properties is investigated.

The authors use the Lanczos algorithm to computationally solve the Schrodinger equation for 2D potentials with a Python program

Here recognizing the importance of urban green space for the health of humans and other organisms, the authors investigated if mathematical modeling can be used to develop an urban greenery management plan with high eco-sustainability by calculating the composition of a plant community. They optimized and tested their model against green fields in a Beijing city park. Although the compositions predicted by their models differed somewhat from the composition of testing fields, they conclude that by using a mathematical model such as this urban green space can be finely designed to be ecologically and economically sustainable.

To address whether odor sensory circuits are organized topographically, the authors investigate whether the neuronal responses to similar odors amongst different mice mapped similarly in brain.

In this study, the authors design a series of new biaryl small molecules to target and block the binding pocket of the enzyme dihydropteroate synthase, which is important for prokaryotic biosynthesis of folic acid and could serve as better antimicrobial compounds.