Severe acute respiratory syndrome-coronavirus 2 (SARS-CoV-2) is the etiologic agent of current pandemic corona virus disease 2019 (COVID-19) that has inflicted loss thousands lives worldwide. The coronavirus surface spike (S) glycoprotein a class I fusion with S1 domain which attached to human angiotensin converting enzyme (ACE2) receptor, and S2 enables host cell membrane internalization virus...

Abstract Objectives This study aimed to model the changes resulting from mutations in surface (spike/S) glycoproteins, which play a key role entry of severe acute respiratory syndrome coronavirus-2 (SARS CoV-2) into host cells, protein quaternary structure and evaluate their possible effects on functional structure. Methods Genome sequence information SARS CoV-2-infected patients located Turkey...

Objective(s): Chemoresistance remains the main causes of treatment failure and mortality in cancer patients. There is an urgent need to investigate novel approaches to improve current therapeutic modalities and increase cancer patients' survival. Induction of drug efflux due to overexpression of                  P-glycoproteins is considered as an important leading cause of multidrug resistance...

This work reports on a complex in silico assessment of the ADME properties Salubrinal (S1) and 54 its structural analogues containing cinnamic acid residue (S2–S40) or quinoline ring (S41–S55). In for (Q)SAR forecast, online servers SwissADME, ADMETlab, admetSAR 2.0, Molinspiration, ALOGPS 2.1, pkCSM, SuperCYPsPred, Vienna LiverTox were used. addition, using AutoDock Vina, molecular docking stu...

there is a great concern about the effect of propoxur, as one of the more common n-methyl carbamate pesticides, on human health due to its extensive use in agricultural and non-agricultural applications. caco-2 cells became resistant to propoxur, and the resistance was confirmed through mtt assay. then the cell membrane integrity and p-glycoprotein expression were measured by ldh assay and west...

Abstract mRNA vaccination of individuals with prior SARS-CoV-2 infection provides superior protection against breakthrough infections variants concern compared to in the absence infection. However, immune mechanisms by which this ‘hybrid immunity’ is generated and maintained are unknown. While genetic variation spike glycoprotein effectively subverts neutralizing antibodies, spike-specific T ce...

objective(s):transporters have an important role in pharmacokinetics of drugs. inhibition or induction of drug transporters activity can affect drug absorption, safety, and efficacy. p-glycoprotein (p-gp) is the most important membrane transporter that is responsible for active efflux of drugs. it is important to understand which drugs are substrates, inhibitors, or inducers of p-gp to minimize...

background and objectives: glycoprotein 96 is the primary chaperone of the endoplasmic reticulum. immunization with it induced potent cytotoxic t lymphocyte responses to intracellular bacteria. s. typhimurium is a facultative intracellular bacterium and acquired resistance against this bacterium mainly depends on activity of cytotoxic t cells. this study aimed to evaluate the capacity of glycop...

Here we briefly review our information theoretic approach to revealing community structure in weighted and directed networks [1] and present a new fast stochastic and recursive search algorithm to minimize the map equation — the objective function of our method. We have developed this algorithm to be able to accurately partition the large number of bootstrap networks [2]. The search algorithm c...