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FASN-suppressor verification identifies SNX8 as a book therapeutic targeted for NAFLD.
Breastfeeding students' perspective about the apply associated with e-learning: A cross-sectional study among COVID-19 within Nepal.
AIM AND OBJECTIVE Near Infrared (NIR) spectroscopy data are featured by few dozen to many thousands of samples and highly correlated variables. Quantitative analysis of such data usually requires a combination of analytical methods with variable selection or screening methods. Commonly-used variable screening methods fail to recover the true model when (i) some of the variables are highly correlated, and (ii) the sample size is less than the number of relevant variables. In these cases, partial least squares (PLS) regression based approaches can be useful alternatives. Saracatinib MATERIALS AND METHODS In this research, a fast variable screening strategy, namely the preconditioned screening for ridge partial least squares regression (PSRPLS), is proposed for modelling NIR spectroscopy data with high-dimensional and highly correlated covariates. Under rather mild assumptions, we prove that using Puffer transformation, the proposed approach successfully transforms the problem of variable screening with highly correlated predictor variables to that of weakly correlated covariates with less extra computational effort. RESULTS We show that our proposed method leads to theoretically consistent model selection results. Four simulation studies and two real examples are then analyzed to illustrate the effectiveness of the proposed approach. CONCLUSION By introducing Puffer transformation, high correlation problem can be mitigated using the PSRPLS procedure we construct. By employing RPLS regression to our approach, it can be made more simple and computational efficient to cope with the situation where model size is larger than the sample size while maintaining a high precision prediction. Saracatinib Copyright© Bentham Science Publishers; For any queries, please email at [email protected] Matrix metalloproteinase 1 is zinc dependent endopeptidase playing important role in the controlled breakdown of extracellular matrix in normal physiological condition resulting in maintenance of homeostasis. Dysregulation of MMP1 leads to progression of various pathological conditions as cancer, rheumatoid arthritis, cardiovascular disease, skin damage and fibrotic disorder. Thus, MMP1 inhibition may prove to be potential drug target. Many synthetic MMP1 inhibitors are available, but its clinical applicability is hindered by lack of substrate specificity. Hence, inhibitors from natural products have gained widespread attention. OBJECTIVE The present study attempts screening of novel MMP1 inhibitors from ZINC database based on experimentally reported natural inhibitors of MMP1 as scaffold. METHOD Molecular docking study was performed with 19 experimentally reported natural inhibitors spanning across nine different classes followed by virtual screening using the selected compounds. The selected compounds were subjected to molecular dynamics simulation. RESULTS Twenty compounds were screened with a cut-off of -9.0 kcal/mol of predicted free energy of binding, which further converged to 6 hits after docking studies. After comparing the docking result of 6 screened hits, two best compounds were selected. ZINC02436922 had the best interaction with six hydrogen bond formation to a relatively confined region in the S1'site of MMP1 and -10.01 kcal/mol of predicted free energy of binding. ZINC03075557 was the second-best compound with -9.57 kcal/mol predicted binding free energy. Molecular dynamics simulation of ZINC02436922 and ZINC03075557 corroborates docking study. CONCLUSION This study brings out phenolic compounds ZINC02436922 and ZINC03075557 as potential MMP1 inhibitors. Copyright© Bentham Science Publishers; For any queries, please email at [email protected] Peroxynitrite, a nitrating and oxidizing agent, is formed by the interaction between nitric oxide and superoxide radicals. H2A histone is a basic nucleoprotein and is one of the major core histones responsible for packaging DNA. It has been shown that they are highly sensitive to oxidizing and nitrating agents. OBJECTIVE Nitration of tyrosine residues in proteins by peroxynitrite is regarded as a marker of nitrosative damage. The dityrosine bond, an oxidative covalent cross-link between two tyrosines in protein, is increasingly identified as a marker of oxidative stress, aging and neurodegerative diseases. METHODS Peroxinitrite-mediated nitration and dinitration in H2A histone was assessed by various biophysical techniques. RESULTS The data presented in this study showed that the dityrosine content was found to be elevated in H2A histone modified with peroxynitrite. The formation of dityrosine showed a decrease in fluorescence intensity, generation of a new peak in FT-IR, increase in hydrodynamic size, and loss of secondary and tertiary structure of H2A resulting in a partially folded structure. CONCLUSION We report that H2A may undergo conformational and structural changes under nitrosative and oxidative stress from the deleterious effects of peroxynitrite. Copyright© Bentham Science Publishers; For any queries, please email at [email protected] Microbe-binding peptides (MBPs) are currently being investigated to address the problem of antimicrobial resistance. Strategies enhancing their antimicrobial activity have been developed, including peptide dimerization. Here, we present an alternative approach based on peptide polymerization, yielding hapten-labelled polymeric MBPs that mediate tagging of bacteria with anti- hapten antibodies, for enhanced immune recognition by host phagocytes. METHODS C-terminally amidated analogs of the bacterial-binding peptide IIGGR were synthesized, with or without addition of cysteine residues at both N- and C- termini. Peptides were subjected to oxidizing conditions in a dimethyl-sulfoxide/water solvent system, and polymerization was demonstrated using SDS-PAGE. Peptides were then N-terminally labelled with a trinitrophenyl (TNP) group using trinitrobenzene sulfonate (TNBS). Binding to representative bacteria was demonstrated by ELISA using anti-TNP antibodies and was quantified as half-maximal effective conblishers; For any queries, please email at [email protected].
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