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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.

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POC-MON: A Novel and Cost-Effective Pocket Lemon Sniff Test (PLST) for Early Detection of Major Depressive Disorder

Cruz et al. | Jul 07, 2020

POC-MON: A Novel and Cost-Effective Pocket Lemon Sniff Test (PLST) for Early Detection of Major Depressive Disorder

Effective treatment of depression requires early detection. Depressive symptoms overlap with olfactory regions, which led to several studies of the correlation between sense of smell and depression. The alarming rise of depression, its related crimes, suicides, and lack of inexpensive, quick tools in detecting early depression — this study aims in demonstrating decreased olfaction and depression correlation. Forty-two subjects (ages 13-83) underwent POC-MON (Pocket Lemon) assessment — an oven-dried lemon peel sniff test, subjected to distance measurement when odor first detected (threshold) and completed Patient Health Questionnaires (PHQ-9). POC-MON and PHQ-9 scores yielded a correlation of 20% and 18% for the right and left nostrils, respectively. Among male (n=17) subjects, the average distance of POC-MON and PHQ-9 scores produced a correlation of 14% and 16% for the right and left nostrils, respectively. Females (n=25) demonstrated a correlation of 28% and 21% for the right and left nostrils, respectively. These results suggest the correlation between olfaction and depression in diagnosing its early-stage, using a quick, inexpensive, and patient-friendly tool — POC-MON.

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Analyzing honey’s ability to inhibit the growth of Rhizopus stolonifer

Johnecheck et al. | Jun 06, 2023

Analyzing honey’s ability to inhibit the growth of <i>Rhizopus stolonifer</i>
Image credit: Johnecheck et al. 2023

Rhizopus stolonifer is a mold commonly found growing on bread that can cause many negative health effects when consumed. Preservatives are the well-known answer to this problem; however, many preservatives are not naturally found in food, and some have negative health effects of their own. We focused on honey as a possible solution because of its natural origin and self-preservation ability. We hypothesized that honey would decrease the growth rate of R. stolonifer . We evaluated the honey with a zone of inhibition (ZOI) test on agar plates. Sabouraud dextrose agar was mixed with differing volumes of honey to generate concentrations between 10.0% and 30.0%. These plates were then inoculated with a solution of spores collected from the mold. The ZOI was measured to determine antifungal effectiveness. A statistically significant difference was found between the means of all concentrations except for 20.0% and 22.5%. Our findings support the hypothesis as we showed a positive correlation between the honey concentration and growth rate of mold. By using this data, progress could be made on an all-natural, honey-based preservative.

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Effectiveness of Biodegradable Plastic in Preventing Food Spoilage

Zhang et al. | Mar 20, 2012

Effectiveness of Biodegradable Plastic in Preventing Food Spoilage

Most people put little thought into the type of plastic wrap they use to store their leftovers. This study investigates the differences between biodegradable plastic wrap and non-biodegradable plastic wrap in their ability to prevent food spoilage. Does one work better than the other? Read more to find out!

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Photometric analysis and light curve modeling of apparent transient 2020pni

Arora et al. | Oct 07, 2022

Photometric analysis and light curve modeling of apparent transient 2020pni

Supernovas are powerful explosions that result from gravitational collapse of a massive star. Using photometric analysis Arora et al. set out to investigate whether 2020pni (located in galaxy UGC 9684) was a supernova. They were ultimately able to identify 2020pni as a Type II-L supernova and determine it's distance from earth.

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