Potential molecular mechanism of reuterin on the inhibition of Aspergillus flavus conidial germination: An in silico study.

Reuterin is a natural antifungal agent derived from certain strains of Limosilactobacillus reuteri. Our previous study revealed that 6 mM reuterin inhibited completely the conidial germination of aflatoxigenic Aspergillus flavus. This study investigated the potential molecular mechanism of reuterin in inhibiting A.

Characterization, protein modeling, and molecular docking of factor C from Indonesian horseshoe crab (Tachypleus gigas).

Background: Horseshoe crab (Tachypleus gigas) amebocytes are useful biomedical components for endotoxin detection, and their growing needs for biomedical purposes cause the horseshoe crab population to decline. Factor C synthesis via genetic engineering offers a solution to replace natural horseshoe crab's factor C and prevent its excessive harvest from nature. In response to these concerns, this study aimed to characterize the amebocyte lysates and factor C protein modeling of T.

A dynamical model of combination therapy applied to glioma.

Glioma is a human brain tumor that is very difficult to treat at an advanced stage. Studies of glioma biomarkers have shown that some markers are released into the bloodstream, so data from these markers indicate a decrease in the concentration of blood glucose and serum glucose in patients with glioma; these suggest an association between glucose and glioma. This decrease mechanism in glucose concentration can be described by the coupled ordinary differential equations of the early-stage glioma growth and interactions between glioma cells, immune cells, and glucose concentration.

Bioactive Compounds in Garlic () and Black Garlic as Antigout Agents, Using Computer Simulation.

Uric acid, which causes gout, is the end product of purine catabolism, synthesized by xanthine oxidase, guanine deaminase, adenine deaminase, purine nucleoside phosphorylase, and 5-nucleotidase II. Garlic contains bioactive compounds that have potential as antigout agents. Garlic fermentation to black garlic changes its components, which may affect its beneficial potential.

Effects of Salt Concentration on the Water and Ion Self-Diffusion Coefficients of a Model Aqueous Sodium-Ion Battery Electrolyte.

The aqueous sodium-ion battery is a promising alternative to the well-known lithium-ion battery owing to the large abundance of sodium ion resources. Although it is safer than the lithium-ion battery, the voltage window of the sodium-ion battery is narrower than that of the lithium-ion battery, thus limiting its practical implementation. Therefore, a highly concentrated electrolyte is required to address this issue.

Forecasting the Long-Term Trends of Coronavirus Disease 2019 (COVID-19) Epidemic Using the Susceptible-Infectious-Recovered (SIR) Model.

A simple model for predicting Coronavirus Disease 2019 (COVID-19) epidemic is presented in this study. The prediction model is presented based on the classic Susceptible-Infectious-Recovered (SIR) model, which has been widely used to describe the epidemic time evolution of infectious diseases. The original version of the Kermack and McKendrick model is used in this study.

Predicting of the Coronavirus Disease 2019 (COVID-19) Epidemic Using Estimation of Parameters in the Logistic Growth Model.

The COVID-19 pandemic was impacting the health and economy around the world. All countries have taken measures to control the spread of the epidemic. Because it is not known when the epidemic will end in several countries, then the prediction of the COVID-19 pandemic is a very important challenge.

Cloning, heterologous expression, and characterization of a novel thioesterase from natural sample.

A novel thioesterse gene was successfully cloned and sequenced directly from natural sample of Domas Hot Spring, West Java, Indonesia. Homological analysis of the sequence showed that the gene appeared high homology to thioesterase genes with the highest to a putative thioesterase gene from uncultured at 66% identity. However, phylogenetic analysis showed that the protein was separated from the branch with other known thioesterases.

Mechanistic insight on the remdesivir binding to RNA-Dependent RNA polymerase (RdRp) of SARS-cov-2.

The RNA-dependent RNA polymerase (RdRp) is a key enzyme which regulates the viral replication of SARS-CoV-2. Remdesivir (RDV) is clinically used drug which targets RdRp, however its mechanism of action remains elusive. This study aims to find out the binding dynamics of active Remdesivir-triphosphate (RDV-TP) to RdRp by means of molecular dynamics (MD) simulation.

Molecular modeling on porphyrin derivatives as β5 subunit inhibitor of 20S proteasome.

The ubiquitin-proteasome system plays an important role in protein quality control. Currently, inhibition of the proteasome has been validated as a promising approach in anticancer therapy. The 20S core particle of the proteasome harbors β5 subunit which is a crucial active site in proteolysis.