POWER SYSTEM STUDY ON INTEGRATING WIND AND PV POWER TO THE GRID SYSTEM

In the current century the demand of energy increased due to the industrial revolution and the high use of energy. PV and wind power were explored to meet the energy demand requirement. The objective of this research is to study and analyze the effects on the voltages and faults currents levels on the buses of the system when integrating wind and PV farms to the grid system. The grid system is IEEE industrial power system, modeling and simulation were implemented using DIgSilent software to perform power system studies of load flow and short circuit analysis on grid-connected at steady state condition to study the voltages and faults currents at the buses. From load flow analysis of PV integration to the industrial system, the voltage is improved at the Buses, the far the grid system from utility supply the more effective the improvement of Buses voltages. Integrating Wind farm to the grid system will affect on the voltage levels, increasing the power from the wind farm decreases the voltage on the system Buses. Short circuit analysis applied base on ANSI and IEEE standards and the comparison between the fault currents contribution of PV grid connected and wind grid connected system showed that the contribution of PV farm is higher than wind farm. The contribution is higher on the Buses near to the point of interconnection

Repurposing benzimidazole and benzothiazole derivatives as potential inhibitors of SARS-CoV-2 : DFT, QSAR, molecular docking, molecular dynamics simulation, and in-silico pharmacokinetic and toxicity studies

Density Functional Theory (DFT) and Quantitative Structure-Activity Relationship (QSAR) studies were performed on four benzimidazoles (compounds 1–4) and two benzothiazoles (compounds 5 and 6), previously synthesized by our group. The compounds were also investigated for their binding affinity and interactions with the SARS-CoV-2 Mpro (PDB ID: 6LU7) and the human angiotensin-converting enzyme 2 (ACE2) receptor (PDB ID: 6 M18) using a molecular docking approach. Compounds 1, 2, and 3 were found to bind with equal affinity to both targets. Compound 1 showed the highest predictive docking scores, and was further subjected to molecular dynamics (MD) simulation to explain protein stability, ligand properties, and protein–ligand interactions. All compounds were assessed for their structural, physico-chemical, pharmacokinetic, and toxicological properties. Our results suggest that the investigated compounds are potential new drug leads to target SARS-CoV-2

Computational studies on potential new anti-Covid-19 agents with a multi-target mode of action

A compound that could inhibit multiple targets associated with SARS-CoV-2 infection would prove to be a drug of choice against the virus. Human receptor-ACE2, receptor binding domain (RBD) of SARS-CoV-2 S-protein, Papain-like protein of SARS-CoV-2 (PLpro), reverse transcriptase of SARS-CoV-2 (RdRp) were chosen for in silico study. A set of previously synthesized compounds (1–5) were docked into the active sites of the targets. Based on the docking score, ligand efficiency, binding free energy, and dissociation constants for a definite conformational position of the ligand, inhibitory potentials of the compounds were measured. The stability of the protein–ligand (P-L) complex was validated in silico by using molecular dynamics simulations using the YASARA suit. Moreover, the pharmacokinetic properties, FMO and NBO analysis were performed for ranking the potentiality of the compounds as drug. The geometry optimizations and electronic structures were investigated using DFT. As per the study, compound-5 has the best binding affinity against all four targets. Moreover, compounds 1, 3 and 5 are less toxic and can be considered for oral consumption

In the face of the future, what do we learn from COVID-19?

Coronavirus disease (COVID-19) is a highly contagious infection caused by a recently identified coronavirus. The first known case was discovered in December 2019 in Wuhan, China. Since then, the illness has spread globally, resulting in an ongoing epidemic. Here, we would like to address one of the most pressing and outstanding questions which rise about COVID-19 during the year and a half since its discovery: what have we learned from COVID-19

Comparison of structures among Saccharomyces cerevisiae Grxs proteins

Abstract Glutaredoxins (Grxs) comprise a group of glutathione (GSH)-dependent oxidoreductase enzymes that respond to oxidative stress and sustain redox homeostasis. Saccharomyces cerevisiae Grx has a similar interaction patterns through its residues between the residues and the environment. The glutaredoxin domain covers 100% of the entire mature Grx1 and Grx8, while the glutaredoxin domain covers ~ 52% of the entire mature Grx6 and Grx7, which have approximately 74 additional amino acids in their N-terminal regions, whereas Grx3 and Grx4 have two functional domains: glutaredoxin and thioredoxin. We have presented the prediction of disordered regions within these protein sequences. Multiple sequence alignment combined with a phylogenetic tree enabled us to specify the key residues contributing to the differences between Saccharomyces cerevisiae Grxs and the proportion symmetry

Key Factors for Successful Protein Purification and Crystallization

Protein purification and crystallization problems have been noticed for many years. The strategies developed for protein solubility and crystallization have improved the protein production and provide high-resolution crystals for structural studies. The protein solubility is achieved by the Site-directed mutagenesis that generates the hydrophobic to hydrophilic mutations. However, the purity and rate of crystallization success still needs to be improved. In this review, the key factors such as the expression system, Affinity –Tags, solubility, reducing or oxidizing environment, denaturing agents, concentration of precipitant, concentration of protein, ionic strength, isoelectric point and pH, temperature, additives, ligands, presence of substrates, coenzymes, mutation, that affect both protein purification and crystallization are discussed in detail. The aim of this review is to have a profound discussion on these key factors and analyze them in relation to both aspects; purification and crystallization and provide a fruitful advice for boosting the production rate of protein and crystallization effectively.</p

Important Factors Influencing Protein Crystallization

The solution of crystallization problem was introduced around twenty years ago, with the introduction of crystallization screening methods. Here reported some of the factors which affect protein crystallization, solubility, Concentration of precipitant, concentration of macromolecule, ionic strength, pH, temperature, and organism source of macromolecules, reducing or oxidizing environment,additives, ligands, presence of substrates, inhibitors, coenzymes, metal ions and rate of equilibration.The aim of this paper to give very helpful advice for crystallization.</p