Biophysical Insights into the Interaction of Zwitterionic Surfactant (Sulfobetaine 10) with Aggregation-Prone Protein.

Protein misfolding and aggregation play crucial roles in several neurodegenerative disorders. In this study, sulfobetaine-10 (SB10) has been demonstrated to stabilize proteins and inhibit aggregation by preserving solubility and retaining native-like structures when exposed to reducing agents such as DTT. We have measured changes in turbidity, secondary, tertiary structures, and ThT fluorescence.

Comprehensive Evaluation of the Bioactives of Elaeagnus umbellata for Their Antidiabetic Potential Using In Vitro and In Silico Approaches.

Elaeagnus umbellata is known for its medicinal properties, including its ability to promote wound healing and exhibit antidiabetic and anti-inflammatory properties. In the present study, methanolic leaf and bark extract (MLE and MBE) of E. umbellata was tested for total phenol and flavonoid content and evaluated for antioxidant activity.

New iridoids and phenolic glycosides from R.Br. ex Fresen with potential inhibitors of SARS-CoV-2 main protease and spike RBD: an approach.

The aerial parts of R.Br. ex Fresen were chromatographically purified, yielding five new compounds: two iridoids (,), one phenylpropanoid glycoside (), and two rhamnosyl esters (,).

Synthesis, X-ray diffraction, and computational studies of acyclovir and HBG analogs derived from Triazolyl-1,4-benzothiazine and their oxidized forms for breast cancer and SARS-CoV-2.

This study presents a simple and efficient synthetic method for preparing a new series of acyclonucleosides derived from 1,4-benzothiazine and 1,4-benzothiazine-1,1-dioxide. These compounds feature the introduction of a 1,2,3-triazole-4-ylmethyl ring as a spacer between the heterocyclic bases and the pseudosugars of acyclovir (ACV) and hydroxybutylguanine (HBG). The acyclonucleosides were synthesized through copper-catalyzed 1,3-dipolar cycloaddition reactions between azides 8a and 8b and the N-propargyl base 7.

γ-aminobutyric acid (GABA) supplementation modulates phosphorus retention, production of carbon metabolites and defense metabolism under arsenic toxicity in wheat.

Arsenic (As) stress has been incessantly degrading crop productivity, and thereafter leading to the increasing grave conditions pertaining to the unsustainable food production. In plants, As stress has been considered as one of the serious phytotoxins persisting in the environment, endangering crop shelf life through competing with phosphorus availability. The withholding of As in the staple crop, wheat (Triticum aestivum), is the major concern.

Biophysical insights into sodium lauroyl sarcosine induced amyloid fibrillation of human serum albumin.

Sodium lauroyl sarcosinate (SLS), an anionic surfactant is known to solubilize recombinant proteins during purification processes. Though SLS has been shown to induce amyloid fibrillation in proteins, the specific role of SLS in amyloid formation remains less understood. Despite its well-established use in protein solubilization, further research is needed to clarify its potential influence on amyloid fibrillation pathways.

The vascular effects of peppermint ( L) on aorta in a mouse model: an and computational study.

The present study examined the vascular effects of peppermint or mint () using an abdominal aortic rings model. Concentration-response curves for mint oil were generated after precontracting isolated mouse aorta with phenylephrine. The effect of different receptor antagonists and ion channel or enzyme inhibitors on the vasorelaxant potential of mint oil were studied.

Multispectroscopic and computational insights into amyloid fibril formation of alpha lactalbumin induced by sodium hexametaphosphate.

The impact of sodium hexametaphosphate (SHMP) on the aggregation behavior of α-lactalbumin (α-LA) was studied at pH 7.4 and 2.0.

Phytosterols as inhibitors of New Delhi metallo-β-lactamase (NDM-1): an in silico study.

The global emergence of New Delhi metallo-β-lactamase-1 (NDM-1) poses a formidable challenge to antibiotic therapy, as it confers resistance to a wide range of β-lactam antibiotics. This study aims to identify potential inhibitors of NDM-1 and thereby restore the effectiveness of the current antibiotics. Employing a comprehensive computational approach integrating molecular docking and molecular dynamics (MD) simulations, a library of phytosterols was screened to identify promising candidates for inhibiting NDM-1 activity.

Binding of a Drug (Colchicine) to L-Asparaginase Enzyme Using Multispectroscopic, Thermodynamics, and Simulation Studies: Possible Implication in Acute Lymphoblastic Leukemia Treatment.

The research aims to elucidate how drug interactions affect the activity of L-asparaginase (L-ASNase), an essential enzyme in cancer treatment, especially for acute lymphoblastic leukemia (ALL). Understanding these interactions is crucial for optimizing treatment effectiveness and reducing adverse effects. This study explores the intricate molecular interactions and structural dynamics of L-ASNase upon binding with colchicine.

A grain-like cerium oxide nanostructure: synthesis and uric acid sensing application.

Utilizing nanomaterials on the working electrode of sensors enables the fabrication of highly sensitive devices for the detection of various analytes. Herein, a facile synthesis method is used to formulate a grain-like cerium oxide (CeO) nanostructure. The structural features and surface properties of the synthesized CeO nanostructure were studied, which showed that the CeO nanostructure exhibited grain-like morphology, good crystalline structure, and excellent vibrational properties.

Antiviral flavonoids- and polyphenols-driven novel anti-HBV efficacy of .

Introduction: Antiviral natural products have shown great promise as alternatives to conventional therapies to address drug resistance in hepatitis B virus (HBV). The abundance of bioactive flavonoids and polyphenolic contents in leaves of (yerba mate) warrants assessment of its anti-HBV activity.

Material And Methods: The total ethanol extract of leaves (IP-Ext), including its -hexane (IP-Hex), chloroform (IP-Chl), ethyl acetate (IP-EtAc) and ethanol (IP-EtOH) fractions, was tested for non-hepatocytotoxicity on HepG2 cells (MTT assay) and anti-HBV efficacy on HepG2.

Synthesis and evaluation of pyridine-3-carboxamide analogs as effective agents against bacterial wilt in tomatoes.

This study focused on developing novel pyridine-3-carboxamide analogs to treat bacterial wilt in tomatoes caused by Ralstonia solanacearum. The analogs were synthesized through a multistep process and their structures confirmed using spectroscopy. Molecular docking studies identified the most potent analog from the series.

Integrated spectroscopic and computational analyses unravel the molecular interaction of pesticide azinphos-methyl with bovine beta-lactoglobulin.

Organophosphorus are typically hazardous chemicals used in the pharmaceutical, agricultural, and other industries. They pose a serious risk to human life and can be fatal upon direct exposure. Hence, studying the interaction between such compounds with proteins is crucial for environmental, health, and food safety.

An Electroanalytical Enzymeless α-FeO-ZnO Hybrid Nanostructure-Based Sensor for Sensitive Quantification of Nitrite Ions.

Nitrite monitoring serves as a fundamental practice for protecting public health, preserving environmental quality, ensuring food safety, maintaining industrial safety standards, and optimizing agricultural practices. Although many nitrite sensing methods have been recently developed, the quantification of nitrite remains challenging due to sensitivity and selectivity limitations. In this context, we present the fabrication of enzymeless iron oxide nanoparticle-modified zinc oxide nanorod (α-FeO-ZnO NR) hybrid nanostructure-based nitrite sensor fabrication.

Computational analysis of bevacizumab binding with protein receptors for its potential anticancer activity.

Breast cancer poses a significant global challenge, prompting researchers to explore novel approaches for potential treatments. In this study, we investigated the binding free energy (Δ) of bevacizumab, an anti-cancer therapy targeting angiogenesis through the inhibition of vascular endothelial growth factor (VEGF), with various proto-oncogenes including CDK4, EGFR, frizzled, IGFR, OmoMYC, and KIT. Our in-silico investigation revealed that hydrogen bonding is pivotal in inducing conformational changes within the DNA structure, impeding its replication and preventing cell death.

Aggregation and cytotoxicity of food additive dye (Azorubine)-albumin adducts: a multi-spectroscopic, microscopic and computational analysis.

Protein and peptide misfolding is a central factor in the formation of pathological aggregates and fibrils linked to disorders like Alzheimer's and Parkinson's diseases. Therefore, it's essential to understand how food additives, particularly Azorubine, affect protein structures and their ability to induce aggregation. In this study, human serum albumin (HSA) was used as a model protein to investigate the binding and conformational changes caused by azorubine, a common food and drink colorant.

Origin of Antibiotics and Antibiotic Resistance, and Their Impacts on Drug Development: A Narrative Review.

Antibiotics have revolutionized medicine, saving countless lives since their discovery in the early 20th century. However, the origin of antibiotics is now overshadowed by the alarming rise in antibiotic resistance. This global crisis stems from the relentless adaptability of microorganisms, driven by misuse and overuse of antibiotics.