In this article, the authors quantify fluctuations of primary proteins found within bovine milk across four stages of lactation. Critically, these findings bear great relevance to the nutritional support of calves as well as the varying severity of symptoms of lactose intolerance.
Berberine, a natural product alkaloid, has been shown to exert biological activity via in situ production of singlet oxygen when photo irradiated. Berberine utilizes singlet oxygen in its putative mechanism of action, wherein it forms an activated complex with DNA and photosensitizes triplet oxygen to singlet oxygen to specifically oxidize guanine residues, thereby halting cell replication and leading to cell death. This has potential application in photodynamic therapy, alongside other such compounds which also act as photosensitizers and produce singlet oxygen in situ. The quantification of singlet oxygen in various photosensitizers, including berberine, is essential for determining their photosensitizer efficiencies. We postulated that the singlet oxygen produced by photoirradiation of berberine would be superior in terms of singlet oxygen production to the aforementioned photosensitizers when irradiated with UV light, but inferior under visible light conditions, due to its strong absorbance of UV wavelengths.
The Human Immunodeficiency Virus (HIV) infects approximately 40 million people globally, and one million people die every year from Acquired Immune Deficiency Syndrome (AIDS)-related illnesses. This study examined the interactions between the HIV-1 envelope glycoprotein gp120 and the human lymphocyte receptor integrin α4β7, the putative first long-range receptor for the envelope glycoprotein of the virus in mucosal tissues. Presented data support the claim that the V1 loop is involved in the binding between α4β7 and the HIV-1 envelope glycoprotein through molecular dockings.
Reducing paint drying time is an important step in improving production efficiency and reducing costs. The authors hypothesized that decreased humidity would lead to faster drying, ultraviolet (UV) light exposure would not affect the paint colors differently, white light exposure would allow for longer wavelength colors to dry at a faster rate than shorter wavelength colors, and substrates with higher roughness would dry slower. Experiments showed that trials under high humidity dried slightly faster than trials under low humidity, contrary to the hypothesis. Overall, the paint drying process is very much dependent on its surrounding environment, and optimizing the drying process requires a thorough understanding of the environmental factors and their interactive effects with the paint constituents.
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.
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 authors test whether providing a larger dataset of glass transition temperatures (Tg) to train the machine-learning platform Polymer Genome would improve its accuracy. Polymer Genome is a machine learning based data-driven informatics platform for polymer property prediction and Tg is one property needed to design new polymers in silico. They found that training the model with their larger, curated dataset improved the algorithm's Tg, providing valuable improvements to this useful platform.
The misfolding of proteins leads to numerous diseases including Akzheimer’s, Parkinson’s and Type II Diabetes. Understanding of exactly how proteins fold is crucial for many medical advancements. Chenna and Englander addressed this problem by measuring the rate of hydrogen-deuterium exchange within proteins exposed to deuterium oxide in order to further elucidate the process of protein folding. Here, mass spectrometry was used to measure exchange in Cytochrome c and was compared to archived 1H NMR data.