Impact of highly deleterious non-synonymous polymorphisms on GRIN2A protein's structure and function.

GRIN2A is a gene that encodes NMDA receptors found in the central nervous system and plays a pivotal role in excitatory synaptic transmission, plasticity and excitotoxicity in the mammalian central nervous system. Changes in this gene have been associated with a spectrum of neurodevelopmental disorders such as epilepsy. Previous studies on GRIN2A suggest that non-synonymous single nucleotide polymorphisms (nsSNPs) can alter the protein's structure and function. To gain a better understanding of the impact of potentially deleterious variants of GRIN2A, a range of bioinformatics tools were employed in this study. Out of 1320 nsSNPs retrieved from the NCBI database, initially 16 were predicted as deleterious by 9 tools. Further assessment of their domain association, conservation profile, homology models, interatomic interaction, and Molecular Dynamic Simulation revealed that the variant I463S is likely to be the most deleterious for the structure and function of the protein. Despite the limitations of computational algorithms, our analyses have provided insights that can be a valuable resource for further in vitro and in vivo research on GRIN2A-associated diseases.

A Comprehensive Study to Unleash the Putative Inhibitors of Serotype2 of Dengue Virus: Insights from an In Silico Structure-Based Drug Discovery.

Dengue fever is a mosquito-borne disease that claims the lives of millions of people around the world. A number of factors like disease's non-specific symptoms, increased viral mutation, growing antiviral drug resistance due to reduced susceptibility, unavailability of an effective vaccine for dengue, weak immunity against the virus, and many more are involved. Dengue belongs to the Flaviviridae family of viruses. The two species of the vector transmitting dengue are Aedes aegypti and Aedes albopictus, with the former one being dominant. Serotypes 2 of dengue fever are spread to the human body and cause severe illness. Recently, dengue has imposed an aggressive effect synergistically with the COVID-19 pandemic. As a result, we concentrated our efforts on finding a potential therapeutic. For this, we chose natural compounds to fight dengue fever, which is currently regarded as successful among many drug therapies. Following this, we started the in silico experiment with 922 plant extracts as lead compounds to fight serotype 2. In this study, we used SwissADME for analyzing ligand drug-likeness, pkCSM for designing an ADMET profile, Autodock vina 4.2 and Swissdock tools for molecular docking, and finally Desmond for molecular dynamics simulation. Ultimately 45 were found effective against the 2'O methyltransferase protein of serotype 2. CHEMBL376820 was found as possible therapeutic candidates for inhibiting methyltransferase protein in this thorough analysis. Nevertheless, more in vitro and in vivo research are required to substantiate their potential therapeutic efficacy.

Effect of Various Monochromatic LED Light Colors on Performance, Blood Properties, Bone Mineral Density, and Meat Fatty Acid Composition of Ducks.

Two experiments determined the effects of various monochromatic light emitting diode (LED) light colors on performance, blood properties, bone mineral density, meat quality properties, and fatty acid composition of ducks. In Experiment 1, 720 1-d-old Cherry Valley ducklings were divided into four light treatments (six replicate pens/treatment; 30 ducks/pen) and were assigned to 1) yellow (Y), 2) green (G), 3) blue (B), or 4) control white (fluorescent lamps). In Experiment 2, six LED light treatments with four replicates were assigned as blue (PB), bright blue (BB), sky blue (SB), greenish blue (GB), green (PG), and fluorescent white as a control treatment. In Experiment 1, G light increased body weight and weight gain compared with the control and Y light during the first 21 d. During d 22-42, weight gain increased in the G and B treatments (P<0.034). Body weight and weight gain were increased under the G light treatment (P<0.036) in Experiment 2. Blood values were not influenced by the light treatments but serum cholesterol level decreased under the PB treatment (P<0.015) compared to PG treatment. Whole blood viscosity at a shear rate of 1 per second decreased significantly under the PG treatment than that of control W treatment. Ducks reared under GB and PG light had increased monounsaturated fatty acids and unsaturated fatty acids/saturated fatty acids by altering the fatty acid composition in muscle. These results suggest that monochromatic PG and GB light color increased growth performance, blood properties, and muscular fatty acid composition, while providing similar bone and meat properties in Cherry Valley ducks.