311,997 results match your criteria binding studies

Principles responsible for trace element concentrations in chronic kidney disease.

Clin Nephrol 2021 May 7. Epub 2021 May 7.

Derangements of trace elements often occur in patients with renal failure and play a crucial role in chronic kidney disease. The natural history of trace element deposition with worsening chronic kidney disease has been poorly described. Some essential trace elements may get wasted (e. Read More

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Relationship between hepatocellular carcinoma and depression via online database analysis.

Bioengineered 2021 Dec;12(1):1689-1697

Clinical laboratory, The First Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangzhou, China.

There may be a mutually reinforcing relationship between hepatocellular carcinoma (HCC) and depression, but the mechanism is unknown. This study used bioinformatics to evaluate the relationship between HCC and depression at the genetic level. Genes associated with HCC and depression were obtained from pubmed2ensemble. Read More

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December 2021

Spectroscopic and molecular docking study of the interaction between neutral Re(I) tetrazolate complexes and bovine serum albumin.

Chemistry 2021 May 7. Epub 2021 May 7.

University of South Australia, Clinical and Health Sciences, North Terrace, 5000, Adelaide, AUSTRALIA.

Re(I) complexes have potential in biomedical sciences as imaging agents, diagnostics and therapeutics. Thus, it is crucial to understand how Re(I) complexes interact with carrier proteins, like serum albumins. Here, we used two neutral Re(I) complexes ( fac -[Re(CO) 3 (1,10-phenanthroline)L], where L is either 4-cyanophenyltetrazolate (1) or 4-methoxycarbonylphenyltetrazole ester (2) , to study the interactions with bovine serum albumin (BSA). Read More

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Memory binding and theta EEG during middle childhood.

Dev Psychobiol 2021 May 6. Epub 2021 May 6.

Department of Psychology, Virginia Tech, Blacksburg, Virginia, USA.

The ability to bind together the contextual details associated with an event undergoes dramatic improvement during childhood. However, few studies have examined the neural correlates of memory binding encoding and retrieval during middle childhood. We examined age-related encoding and retrieval differences using continuous electroencephalogram (EEG) measures in a sample of 6- and 8-year-olds. Read More

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Process development and scale-up optimization of the SARS-CoV-2 receptor binding domain-based vaccine candidate, RBD219-N1C1.

Appl Microbiol Biotechnol 2021 May 7. Epub 2021 May 7.

National School of Tropical Medicine, Department of Pediatrics, Baylor College of Medicine, One Baylor Plaza, BCM113, Houston, TX, 77030, USA.

A SARS-CoV-2 RBD219-N1C1 (RBD219-N1C1) recombinant protein antigen formulated on Alhydrogel® has recently been shown to elicit a robust neutralizing antibody response against SARS-CoV-2 pseudovirus in mice. The antigen has been produced under current good manufacturing practices (cGMPs) and is now in clinical testing. Here, we report on process development and scale-up optimization for upstream fermentation and downstream purification of the antigen. Read More

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Defining functional variants associated with Alzheimer's disease in the induced immune response.

Brain Commun 2021 19;3(2):fcab083. Epub 2021 Apr 19.

Division of Psychological Medicine and Clinical Neurosciences, School of Medicine, Cardiff University, Cardiff CF24 4HQ, UK.

Defining the mechanisms involved in the aetiology of Alzheimer's disease from genome-wide association studies alone is challenging since Alzheimer's disease is polygenic and most genetic variants are non-coding. Non-coding Alzheimer's disease risk variants can influence gene expression by affecting miRNA binding and those located within enhancers and within CTCF sites may influence gene expression through alterations in chromatin states. In addition, their function can be cell-type specific. Read More

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Advances in the Development of Biomarkers for Poststroke Epilepsy.

Biomed Res Int 2021 17;2021:5567046. Epub 2021 Apr 17.

Department of Neurology, Shanghai Jiao Tong University Affiliated Sixth People's Hospital, Shanghai 200233, China.

Stroke is the main cause of acquired epilepsy in elderly people. Poststroke epilepsy (PSE) not only affects functional recovery after stroke but also brings considerable social consequences. While some factors such as cortical involvement, hemorrhagic transformation, and stroke severity are associated with increased seizure risk, so far that remains controversial. Read More

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Removal of bisphenol A from aqueous media using a highly selective adsorbent of hybridization cyclodextrin with magnetic molecularly imprinted polymer.

R Soc Open Sci 2021 Mar 10;8(3):201604. Epub 2021 Mar 10.

Integrative Medicine Cluster, Advanced Medical and Dental Institute, Universiti Sains Malaysia, 13200 Penang, Malaysia.

In this study, a unique magnetic molecularly imprinted polymer (MMIP) adsorbent towards bisphenol A (BPA) as a template molecule was developed by bulk polymerization using β-cyclodextrin (β-CD) as a co-monomer with methacrylic acid (MAA) to form MMIP MAA-βCD as a new adsorbent. β-CD was hybridized with MAA to obtain water-compactible imprinting sites for the effective removal of BPA from aqueous samples. Benzoyl peroxide and trimethylolpropane trimethacrylate were used as the initiator and cross-linker, respectively. Read More

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Molecular Dynamics Studies of Therapeutic Liquid Mixtures and Their Binding to Mycobacteria.

Front Pharmacol 2021 20;12:626735. Epub 2021 Apr 20.

Red Glead Discovery AB, Lund, Sweden.

Tuberculosis is an highly contagious disease still considered by the WHO as one of most infectious diseases worldwide. The therapeutic approach, used to prevent and treat tuberculosis targets the complex, comprises a combination of drugs administrated for long periods of time, which, in many cases, could cause several adverse effects and, consequently, low compliance of the patient to the treatment and drug-resistance. Therefore, therapeutic liquid mixtures formulated with anti-tuberculosis drugs and/or adjuvants in tuberculosis therapy are an interesting approach to prevent toxic effects and resistance to anti-tuberculosis drugs. Read More

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8-Substituted Triazolobenzodiazepines: and Pharmacology in Relation to Structural Docking at the α1 Subunit-Containing GABA Receptor.

Front Pharmacol 2021 20;12:625233. Epub 2021 Apr 20.

Department of Psychiatry and Human Behavior, University of Mississippi Medical Center, Jackson, MS, United States.

In order to develop improved anxiolytic drugs, 8-substituted analogs of triazolam were synthesized in an effort to discover compounds with selectivity for α2/α3 subunit-containing GABA subtypes. Two compounds in this series, XLi-JY-DMH (6-(2-chlorophenyl)-8-ethynyl-1-methyl-4H-benzo [f][1,2,4]triazolo[4,3-a][1,4]diazepine) and SH-TRI-108 [(E)-8-ethynyl-1-methyl-6-(pyridin-2-yl)-4H-benzo [f][1,2,4]triazolo[4,3-a][1,4]diazepine], were evaluated for and properties associated with GABA subtype-selective ligands. In radioligand binding assays conducted in transfected HEK cells containing rat αXβ3γ2 subtypes (X = 1,2,3,5), no evidence of selectivity was obtained, although differences in potency relative to triazolam were observed overall (triazolam > XLi-JY-DMH > SH-TRI-108). Read More

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Gene Set and Pathway Enrichment Analyses Highlight Involvement of Ion Transport in Cholinergic Pathways in Autism: Rationale for Nutritional Intervention.

Front Neurosci 2021 20;15:648410. Epub 2021 Apr 20.

Department of Nutrition and Food Studies, College of Health and Human Services, George Mason University, Fairfax, VA, United States.

Food is the primary human source of choline, an essential precursor to the neurotransmitter acetylcholine, which has a central role in signaling pathways that govern sensorimotor functions. Most Americans do not consume their recommended amount of dietary choline, and populations with neurodevelopmental conditions like autism spectrum disorder (ASD) may be particularly vulnerable to consequences of choline deficiency. This study aimed to identify a relationship between ASD and cholinergic signaling through gene set enrichment analysis and interrogation of existing database evidence to produce a systems biology model. Read More

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Architecture of the membrane-bound cytochrome c heme lyase CcmF.

Nat Chem Biol 2021 May 6. Epub 2021 May 6.

Institut für Biochemie, Albert-Ludwigs-Universität Freiburg, Freiburg, Germany.

The covalent attachment of one or multiple heme cofactors to cytochrome c protein chains enables cytochrome c proteins to be used in electron transfer and redox catalysis in extracytoplasmic environments. A dedicated heme maturation machinery, whose core component is a heme lyase, scans nascent peptides after Sec-dependent translocation for CXCH-binding motifs. Here we report the three-dimensional (3D) structure of the heme lyase CcmF, a 643-amino acid integral membrane protein, from Thermus thermophilus. Read More

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Unraveling the binding characteristics of small ligands to telomeric DNA by pressure modulation.

Sci Rep 2021 May 6;11(1):9714. Epub 2021 May 6.

Physical Chemistry I-Biophysical Chemistry, Faculty of Chemistry and Chemical Biology, TU Dortmund University, Otto-Hahn Strasse 4a, 44227, Dortmund, Germany.

Recently, non-canonical DNA structures, such as G-quadruplexes (GQs), were found to be highly pressure sensitive, suggesting that pressure modulation studies can provide additional mechanistic details of such biomolecular systems. Using FRET and CD spectroscopy as well as binding equilibrium measurements, we investigated the effect of pressure on the binding reaction of the ligand ThT to the quadruplex 22AG in solutions containing different ionic species and a crowding agent mimicking the intracellular milieu. Pressure modulation helped us to identify the different conformational substates adopted by the quadruplex at the different solution conditions and to determine the volumetric changes during complex formation and the conformational transitions involved. Read More

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Comprehensive molecular dissection of TIFY Transcription factors reveal their dynamic responses to biotic and abiotic stress in wheat (Triticum aestivum L.).

Sci Rep 2021 May 6;11(1):9739. Epub 2021 May 6.

Department of Bio-Engineering, Birla Institute of Technology, Mesra, Ranchi, 835215, Jharkhand, India.

The plant specific TIFY (previously known as ZIM) transcription factor (TF) family plays crucial roles in cross talk between Jasmonic Acid and other phytohormones like gibberellins, salicylic acid, abscisic acid, auxin, and ethylene signaling pathways. Wheat yield is severely affected by rust diseases and many abiotic stresses, where different phytohormone signaling pathways are involved. TIFYs have been studied in many plants yet reports describing their molecular structure and function in wheat are lacking. Read More

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Antibacterial and antioxidant activities of extracts and isolated compounds from the roots extract of Cucumis prophetarum and in silico study on DNA gyrase and human peroxiredoxin 5.

BMC Chem 2021 May 6;15(1):32. Epub 2021 May 6.

Department of Applied Chemistry, School of Applied Natural Science, Adama Science and Technology University, P.O.Box 1888, Adama, Ethiopia.

Background: Cucumis prophetarum is traditionally used to treat liver and lung disorders, heart failure, diarrhea, gonorrhea, skin infections, intestinal problems and cancer. In the present work, the isolation of two novel compounds along with their antibacterial and antioxidant activities is reported for the first time.

Methods: Silica gel column chromatography was applied to separate constituents of the roots of C. Read More

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Withanone Ameliorates Stress Symptoms in Caenorhabditis Elegans by Acting through Serotonin Receptors.

Pharmacopsychiatry 2021 May 6. Epub 2021 May 6.

Department of Pharmaceutical Biology, Institute of Pharmaceutical and Biomedical Sciences, Johannes Gutenberg University, Mainz, Germany.

Introduction: Depression is responsible for 800 000 deaths worldwide, a number that will rise significantly due to the COVID-19 pandemic. Affordable novel drugs with less severe side effects are urgently required. We investigated the effect of withanone (WN) from Withania somnifera on the serotonin system of wild-type and knockout Caenorhabditis elegans strains using in silico, in vitro, and in vivo methods. Read More

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Stability of ligand-induced protein conformation influences affinity in maltose-binding protein.

J Mol Biol 2021 May 3:167036. Epub 2021 May 3.

Department of Biochemistry, Groningen Biomolecular Science and Biotechnology Institute University of Groningen, Nijenborgh 4, Groningen 9747 AG, The Netherlands. Electronic address:

Our understanding of what determines ligand affinity of proteins is poor, even with high-resolution structures available. Both the non-covalent ligand-protein interactions and the relative free energies of available conformations contribute to the affinity of a protein for a ligand. Distant, non-binding site residues can influence the ligand affinity by altering the free energy difference between a ligand-free and ligand-bound conformation. Read More

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How structural biology transformed studies of transcription regulation.

J Biol Chem 2021 May 3:100741. Epub 2021 May 3.

Department of Biophysics and Biophysical Chemistry, The Johns Hopkins University School of Medicine, 725 N. Wolfe Street, Baltimore, MD 21205. Electronic address:

The past four decades have seen remarkable advances in our understanding of the structural basis of gene regulation. Technological advances in protein expression, nucleic acid synthesis and structural biology made it possible to study the proteins that regulate transcription in the context of ever larger complexes containing proteins bound to DNA. This review, written on the occasion of the 50 anniversary of the founding of the Protein Data Bank (PDB) focuses on the insights gained from structural studies of protein-DNA complexes, and the role the PDB has played in driving this research. Read More

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Structures and Functions of Chromatin Fibers.

Annu Rev Biophys 2021 May;50:95-116

National Laboratory of Biomacromolecules, CAS Center for Excellence in Biomacromolecules, Institute of Biophysics, Chinese Academy of Sciences, Beijing 100101, China; email:

In eukaryotes, genomic DNA is packaged into chromatin in the nucleus. The accessibility of DNA is dependent on the chromatin structure and dynamics, which essentially control DNA-related processes, including transcription, DNA replication, and repair. All of the factors that affect the structure and dynamics of nucleosomes, the nucleosome-nucleosome interaction interfaces, and the binding of linker histones or other chromatin-binding proteins need to be considered to understand the organization and function of chromatin fibers. Read More

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Follicular dendritic cell dysfunction contributes to impaired antigen-specific humoral responses in sepsis-surviving mice.

J Clin Invest 2021 May 6. Epub 2021 May 6.

Center for Autoimmune and Musculoskeletal Disease, The Feinstein Institutes for Medical Research, Manhasset, United States of America.

Sepsis survivors exhibit impaired responsiveness to antigen (Ag) challenge associated with increased mortality from infection. The contribution of follicular dendritic cells (FDCs) in the impaired humoral response in sepsis-surviving mice is investigated in this study. We demonstrated that mice subjected to sepsis from cecal ligation and puncture (CLP) have reduced NP-specific high-affinity class-switched Ig antibodies compared to sham control mice following immunization with the T-dependent Ag, NP-CGG. Read More

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Reenacting the Birth of a Function: Functional Divergence of HIUases and Transthyretins as Inferred by Evolutionary and Biophysical Studies.

J Mol Evol 2021 May 6. Epub 2021 May 6.

Instituto de Ciências Biológicas, Universidade Federal de Minas Gerais, Belo Horizonte, Brazil.

Transthyretin was discovered in the 1940s, named after its ability to bind thyroid hormones and retinol. In the genomic era, transthyretins were found to be part of a larger family with homologs of no obvious function, then called transthyretin-related proteins. Thus, it was proposed that the transthyretin gene could be the result of gene duplication of an ancestral of this newly identified homolog, later found out to be an enzyme involved in uric acid degradation, then named HIUase (5-hydroxy-isourate hydrolase). Read More

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On-demand lactate monitoring towards assessing physiological responses in sedentary populations.

Analyst 2021 May 6. Epub 2021 May 6.

Department of Bioengineering, University of Texas at Dallas, Richardson, TX-75080, USA.

Identification of diseases in sedentary populations on a timely basis before reaching a critical stage is a continuing challenge faced by emergency care centers. Lactate is a key biomarker for monitoring restricted oxygen supply essential for assessing the physiological responses of the user for clinical diagnostics. The novelty of this work is the development of a non-invasive, mediator-free, stick and remove biosensor for the on-demand measurement of lactate in passive sweat targeted towards sedentary populations. Read More

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Cannabidiol Protects Human Skin Keratinocytes from Hydrogen-Peroxide-Induced Oxidative Stress via Modulation of the Caspase-1-IL-1β Axis.

J Nat Prod 2021 May 6. Epub 2021 May 6.

Bioactive Botanical Research Laboratory, Department of Biomedical and Pharmaceutical Sciences, College of Pharmacy, University of Rhode Island, Kingston, Rhode Island 02881, United States.

Preclinical and clinical studies support cannabidiol (CBD)'s antioxidant and anti-inflammatory effects, which are linked to its skin protective effects, but there have been limited mechanistic studies reported. Herein we evaluated CBD's protective effects against hydrogen peroxide (HO)-induced oxidative stress in human keratinocyte HaCaT cells and explored its possible mechanism(s) of action. CBD (10 μM) protected HaCaT cells by alleviating HO (200 μM)-induced cytotoxicity (by 11. Read More

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Direct and Efficient Conjugation of Quantum Dots to DNA Nanostructures with Peptide-PNA.

ACS Nano 2021 May 6. Epub 2021 May 6.

Center for Bio/Molecular Science and Engineering, U.S. Naval Research Laboratory Code 6900, Washington, DC 20375, United States.

DNA nanotechnology has proven to be a powerful strategy for the bottom-up preparation of colloidal nanoparticle (NP) superstructures, enabling the coordination of multiple NPs with orientation and separation approaching nanometer precision. To do this, NPs are often conjugated with chemically modified, single-stranded (ss) DNA that can recognize complementary ssDNA on the DNA nanostructure. The limitation is that many NPs cannot be easily conjugated with ssDNA, and other conjugation strategies are expensive, inefficient, or reduce the specificity and/or precision with which NPs can be placed. Read More

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Pharmacokinetic/pharmacodynamic modeling of drug interactions at the P2Y receptor between selatogrel and oral P2Y antagonists.

CPT Pharmacometrics Syst Pharmacol 2021 May 6. Epub 2021 May 6.

Idorsia Pharmaceuticals Ltd, Clinical Pharmacology, Allschwil, Switzerland.

Selatogrel is a potent and reversible P2Y receptor antagonist developed for subcutaneous self-administration by patients with suspected acute myocardial infarction. After single-dose emergency treatment with selatogrel, patients are switched to long-term treatment with oral P2Y receptor antagonists. Selatogrel shows rapid onset and offset of inhibition of platelet aggregation (IPA) to overcome the critical initial time after acute myocardial infarction. Read More

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A fragment-based protein interface design algorithm for symmetric assemblies.

Protein Eng Des Sel 2021 Feb;34

UCLA Molecular Biology Institute, Los Angeles, CA 90095, USA.

Theoretical and experimental advances in protein engineering have led to the creation of precisely defined, novel protein assemblies of great size and complexity, with diverse applications. One powerful approach involves designing a new attachment or binding interface between two simpler symmetric oligomeric protein components. The required methods of design, which present both similarities and key differences compared to problems in protein docking, remain challenging and are not yet routine. Read More

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February 2021

Molecular docking-guided synthesis of NSAID-glucosamine bioconjugates and their evaluation as COX-1/COX-2 inhibitors with potentially reduced gastric toxicity.

Chem Biol Drug Des 2021 May 5. Epub 2021 May 5.

Center for Heterocyclic Compounds, Department of Chemistry, University of Florida, Gainesville, FL, 32611-7200, USA.

Non-steroidal anti-inflammatory drugs (NSAIDs) are a powerful class of inhibitors targeting two isoforms of the family of cyclooxygenase enzymes (COX-1, COX-2). While NSAIDs are widely used in the management of pain, in particular as a treatment for osteo- and rheumatoid arthritis, their long-term use has associated with numerous on- and off-target effects. As the carboxylic acid moiety present in common NSAIDs is responsible for some of their adverse effects, but is not required for their anti-inflammatory activity, we sought to mask this group through direct coupling to glucosamine, which is thought to prevent cartilage degradation. Read More

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Virtual screening of natural compounds for potential inhibitors of Sterol C-24 methyltransferase of Leishmania donovani to overcome leishmaniasis.

J Cell Biochem 2021 May 6. Epub 2021 May 6.

Department of Biotechnology, Infection and Immunity Lab (414), Jamia Millia Islamia (A Central University), New Delhi, India.

Leishmaniasis is a neglected tropical disease caused by trypanosomatid parasite belonging to the genera Leishmania. Leishmaniasis is transmitted from one human to other through the bite of sandflies. It is endemic in around 98 countries including tropical and subtropical regions of Asia, Africa, Southern America, and the Mediterranean region. Read More

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Dopamine Receptors in Parkinson's Disease: A Meta-Analysis of Imaging Studies.

Mov Disord 2021 May 6. Epub 2021 May 6.

Parkinson and Movement Disorders Unit, Department of Neuroscience, University of Padua, Padua, Italy.

Dopamine receptors are abundant along the central nigrostriatal tract and are expressed as 5 subtypes in two receptor families. In PD, compensatory changes in dopamine receptors emerge as a consequence of the loss of dopamine nerve terminals or dopaminergic pharmacotherapy. We performed a systematic review and meta-analysis of the available PET and single-photon emission computed tomography studies that have investigated dopamine receptors in PD, PSP and MSA. Read More

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Promotion of Hyperthermic-Induced rDNA Hypercondensation in Saccharomyces cerevisiae.

Genetics 2020 Mar;214(3):589-604

Department of Biological Sciences, Lehigh University, Bethlehem, Pennsylvania 18015.

Ribosome biogenesis is tightly regulated through stress-sensing pathways that impact genome stability, aging and senescence. In Saccharomyces cerevisiae, ribosomal RNAs are transcribed from rDNA located on the right arm of chromosome XII. Numerous studies reveal that rDNA decondenses into a puff-like structure during interphase, and condenses into a tight loop-like structure during mitosis. Read More

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