• In these membranes, inorganic nanoparticles are coated with a shell of organic ligands that interlock as spacers and provide tensile strength. (nature.com)
  • Figure 4: Coarse-grained molecular dynamics simulations showing asymmetry in ligand distribution for single nanoparticles and their self-assembled array residing at the air/water interface. (nature.com)
  • Numerous companies are now working on nanoparticles with targeting ligands that direct them to the right place, greatly increasing their chances of success. (soci.org)
  • These ligands enable the nanoparticles to be directed to the active disease sites by targeting some form of receptor that is upregulated at the target site. (soci.org)
  • The reaction of Hg(ClO 4 ) 2 with mn13S 4 yielded the dinuclear complex [Hg 2 (mn13S 4 ) 3 ](ClO 4 ) 4 (4) containing two half-sandwich moieties with a third ligand molecule as a bridging unit. (degruyter.com)
  • A synthetic, specially- designed oligonucleotide with the ability to recognize and bind a protein ligand molecule or molecules with high affinity and specificity. (genomicglossaries.com)
  • HIV preferentially infects and replicates in cells expressing the CD4 molecule, the ligand for viral attachment and subsequent cell entry (1). (cdc.gov)
  • scripts further implement a likelihood-based ligand assignment strategy, starting with macromolecular refinement and automated water addition, followed by removal of the water molecules that appear to be fitting ligand density, and a final round of refinement after random perturbation of the refined macromolecular model, in order to obtain unbiased difference density maps for automated ligand placement. (ox.ac.uk)
  • Structure-based virtual screening identifies molecules (ligands) that are predicted to bind to a biological structure (target). (idtechex.com)
  • Mutations in the CD40 ligand (CD40L) are responsible for human hyper immunoglobulin M (IgM) syndrome. (nki.nl)
  • Critical function of the CD40 pathway in parvovirus B19 infection revealed by a hypomorphic CD40 ligand mutation. (lu.se)
  • Mutational screening of the CD40 ligand (CD40L) gene in patients with X linked hyper-IgM syndrome (XHIM) and determination of carrier status in female relatives. (lu.se)
  • Mutations of CD40 ligand in two patients with hyper-IgM syndrome. (lu.se)
  • Mutations of the CD40 ligand gene and its effect on CD40 ligand expression in patients with X-linked hyper IgM syndrome. (lu.se)
  • Genomic structure and PCR-SSCP analysis of the human CD40 ligand gene: its application to prenatal screening for X-linked hyper-IgM syndrome. (lu.se)
  • CD40 ligand deficiency presenting as unresponsive neutropenia. (lu.se)
  • The concept assumes that redox reactions in metal complexes are either metal or ligand localized, which is a simplification, albeit a useful one. (wikipedia.org)
  • The simplest case of a suspect ligand is NO..." Conventionally, redox reactions of coordination complexes are assumed to be metal-centered. (wikipedia.org)
  • SAN DIEGO--(Healthcare Sales & Marketing Network)--Ligand Pharmaceuticals Incorporated (LGND) announces that its partner, GlaxoSmithKline ( GSK ) plc, presented the results from the Phase 3 PETIT2 study evaluating the efficacy of eltrombopag vs. placebo in pediatric patients with chronic immune (idiopathic) thrombocytopenic purpura (cITP). (salesandmarketingnetwork.com)
  • Recent studies have suggested that conservative missense mutations distal to the OGT catalytic domain lead to X-linked intellectual disability in boys, but it is not clear if this is through changes in the O-GlcNAc proteome, loss of protein-protein interactions, or misprocessing of HCF1. (rcsb.org)
  • To provide insight into the molecular mechanisms of their activity and selectivity, we determined the crystal structures of the ERalpha ligand-binding domain (LBD) and a peptide from the glucocorticoid receptor-interacting protein 1 (GRIP1) coactivator complexed with the ligands OBCP-3M, OBCP-2M, and OBCP-1M. (rcsb.org)
  • When a ligand attaches (binds), the KIT or PDGFRA receptor protein is turned on (activated), which leads to activation of a series of proteins in multiple signaling pathways. (medlineplus.gov)
  • IGF-1 then acts as a ligand and can interact with Insulin Receptor protein and Insulin-like Growth Factor Binding Protein . (proteopedia.org)
  • In drug discovery, it is of utmost importance to accurately calculate the free energies of binding ligands to various protein targets, such as enzymes and receptors. (lu.se)
  • We mostly used molecular mechanics (MM) in order to model the protein-ligand interactions, which is more approximate than quantum-mechanical (QM) methods, but necessary to reduce the computational cost when doing calculations on protein-ligand systems, which often contain tens of thousand of atoms. (lu.se)
  • This entropy largely stems from the fluctuation of the protein and ligand. (lu.se)
  • Additionally, we compared how MD and grand-canonical Monte Carlo (GCMC) can be used to assess dynamics and thermodynamics of protein-ligand binding for both buried and solvent-exposed binding sites. (lu.se)
  • Following Libdock score screening, the protein-ligand poses were docked using docking optimization (Cdocker) method. (bvsalud.org)
  • Binding energy were calculated for the protein-ligand poses of lowest -Cdocker Energy and -Cdocker Interaction. (bvsalud.org)
  • Typically, complexes containing non-innocent ligands are redox active at mild potentials. (wikipedia.org)
  • This leads to the formation of ligand radical complexes. (wikipedia.org)
  • Another example is higher oxidation states of copper complexes of diamido phenyl ligands that are stabilized by intramolecular multi center hydrogen bonding Nitrosyl (NO) binds to metals in one of two extreme geometries - bent where NO is treated as a pseudohalide (NO−), and linear, where NO is treated as NO+. (wikipedia.org)
  • The complexes formed from the reaction of N-acylated tris-(pyridin-2-yl)methylamine (LH) with [Re(CO)5Br] depend on the structure of the ligand and the reaction conditions. (herts.ac.uk)
  • The impact of the N-acyl group and any substituent at the apex of the tripodal ligands (L[prime or minute][prime or minute]H) on the relative stabilities of intermediate complexes on the reaction pathway helps provide an explanation for the observed difference in behaviour of the N-acylated tris(pyridin-2-yl)methylamines (LH). (herts.ac.uk)
  • Specific steroid receptors in the cell cytoplasm bind to ligands for steroid hormone-receptor complexes that occsionally translocate to the cell nucleus. (bvsalud.org)
  • The complexes may induce transcription of messenger RNA, leading to the synthesis of new proteins. (bvsalud.org)
  • Editing this mutation into the Drosophila genome results in global changes in the O-GlcNAc proteome, while in mouse embryonic stem cells it leads to loss of O-GlcNAcase and delayed differentiation down the neuronal lineage. (rcsb.org)
  • Molecular dynamics simulations elucidate the roles of ligand coverage and mobility in producing and maintaining this asymmetry. (nature.com)
  • Low molecular weight (LMW) allosteric FSHR ligands were developed for use in assisted reproductive technology yet could also provide novel pharmacological tools to study FSHR. (frontiersin.org)
  • Molecular dynamics simulation study to evaluate the lead novel ligand. (bvsalud.org)
  • The company's lead product, BIND-014 , is a nanoparticle formulation of the anticancer agent docetaxel. (soci.org)
  • A study in mild/moderate IPF patients using an αVβ6 PET ligand to evaluate target engagement. (stanford.edu)
  • Neoadjuvant therapy, on the other hand, leads about 15% of patients to forgo surgery, and about 30% who have both neoadjuvant therapy and surgery end up not receiving their planned adjuvant immunotherapy. (medscape.com)
  • In the IMpower010 trial , for instance, adjuvant atezolizumab led to a marked improvement in disease-free survival compared with best supportive care in patients with stage II-IIIA NSCLC. (medscape.com)
  • Patients with programmed death-ligand 1 expression of 50% or higher also demonstrated an overall survival benefit (hazard ratio [HR], 0.42). (medscape.com)
  • Patients with SCLS experience transient and reversible episodes of plasma leakage into peripheral tissues, which lead to the acute onset of hypotensive shock and the development of anasarca after intravenous (IV) fluid resuscitation. (cdc.gov)
  • Figure 2: Qualitative surface-enhanced Raman scattering (SERS) measurement showing the asymmetric ligand shell of the membrane. (nature.com)
  • In the enzymes chloroperoxidase and cytochrome P450, the porphyrin ligand sustains oxidation during the catalytic cycle, notably in the formation of Compound I. In other heme proteins, such as myoglobin, ligand-centered redox does not occur and the porphyrin is innocent. (wikipedia.org)
  • The catalytic cycle of galactose oxidase (GOase) illustrates the involvement of non-innocent ligands. (wikipedia.org)
  • In the key steps of the catalytic cycle, a cooperative Brønsted-basic ligand-site deprotonates the alcohol, and subsequently the oxygen atom of the tyrosinyl radical abstracts a hydrogen atom from the alpha-CH functionality of the coordinated alkoxide substrate. (wikipedia.org)
  • In the course of a fragment-based lead discovery effort aimed at finding ligands of the catalytic domain of UDP-glucose glycoprotein glucosyltransferase (UGGT), we encountered a mixture of trigonal crystals and pseudotrigonal triclinic crystals-with the two lattices closely related. (ox.ac.uk)
  • In chemistry, a (redox) non-innocent ligand is a ligand in a metal complex where the oxidation state is not clear. (wikipedia.org)
  • During recent years, the biotic ligand model (BLM) has been proposed as a tool to evaluate quantitatively the manner in which water chemistry affects the speciation and biological availability of metals in aquatic systems. (researchgate.net)
  • The Department of Chemistry and Biochemistry at Auburn University offers programs leading to master's and doctoral degrees. (auburn.edu)
  • C.K. Jørgensen first described ligands as "innocent" and "suspect": "Ligands are innocent when they allow oxidation states of the central atoms to be defined. (wikipedia.org)
  • If the ligands are always considered to be dianionic (as is done in formal oxidation state counting), then z = 0 requires that that nickel has a formal oxidation state of +IV. (wikipedia.org)
  • The stilbene-1,2-dithiolate behaves as a redox non-innocent ligand, and the oxidation processes actually take place at the ligands rather than the metal. (wikipedia.org)
  • On the other hand, one-electron oxidation of [Ru(2,2'-bipyridine)3]2+ is localized on Ru and the bipyridine is behaving as a normal, innocent ligand in this case. (wikipedia.org)
  • ligands containing ferrocene can have oxidation events centered on the ferrocene iron center rather than the catalytically active metal center. (wikipedia.org)
  • In the interaction with proteins, lead binds with virtually every available functional group, including sulfhydryl, amine, phosphate, and carboxyl groups, with sulfhydryl having the highest affinity. (cdc.gov)
  • Ligand-binding on α subunit induces activation of β subunit by autophosphorylation. (proteopedia.org)
  • Another theory is that interactions between Fas (a cell-surface receptor that induces apoptosis) and its ligand, particularly a soluble form of Fas ligand released from mononuclear cells, lead to cell death and blister formation. (msdmanuals.com)
  • Lead interferes with the synthesis of heme, resulting in accumulation of ALA in tissues and elevated excretion of ALA in urine, elevation of zinc protoporphyrin in erythrocyte, reductions in blood hemoglobin, and in a hypochromic, normocytic anemia at higher levels of exposure. (cdc.gov)
  • By using machine learning and subsequent biochemical validation we detect ligand-dependent, non-canonical interaction of EGFR and Met. (nature.com)
  • In its binding with sulfhydryl groups, lead may interfere with the activity of zinc metalloenzymes, as zinc binds to a sulfhydryl group at the active site. (cdc.gov)
  • As in most heavy metals, any ligand with sulfhydryl group is vulnerable. (medscape.com)
  • A comparison of these structures with existing ER structures suggests that the ERbeta selectivity of OBCP ligands can be attributed to a combination of their interactions with Met-336 in ERbeta and Met-421 in ERalpha. (rcsb.org)
  • This research establishes fundamental structure/property rules for boron selectivity that could lead to new material designs for water purification membranes. (aps.org)
  • When pyr and ths are equivalently expressed using the Gal4 system, these ligands support qualitatively different FGFR signaling responses. (biologists.com)
  • bond length constraints may restrict the accessible part of the phase space and therefore lead to qualitatively erroneous results. (lu.se)
  • Deficiency in copper leads to anaemia and bone disorders. (docbrown.info)
  • Fe deficiency is one of the leading risk factors of disability and death worldwide. (intechopen.com)
  • Calcium deficiency also may increase lead absorption, based on studies in children. (cdc.gov)
  • In pharmaceutical industry, lead discovery strategies and screening collections have been predominantly tailored to discover compounds that modulate target proteins through noncovalent interactions. (gla.ac.uk)
  • By use of the docking conditions that led to the best enrichment of known actives, 44 candidate compounds with unknown activity on cathepsin K were finally selected for experimental evaluation. (gla.ac.uk)
  • These bicyclic ligands show promise as lead compounds that can target ERbeta. (rcsb.org)
  • While Macrophen and Double Macrophen were the most active substances among polyamino-phenolic ligands, dendrimers were overall twofold more effective than all other compounds with a reduction up to 85 and 73% of legionella and multi-species biofilms, respectively. (frontiersin.org)
  • In search of new dual-acting histamine H/sigma-1 receptor ligands, we designed a series of compounds structurally based on highly active ligands previously studied and described by our team. (iasp-pain.org)
  • Mutations in the KIT and PDGFRA genes lead to proteins that no longer require ligand binding to be activated. (medlineplus.gov)
  • Gastrointestinal absorption of soluble lead salts in adult humans can be high during fasting (40-50%), but is about 3-15% when ingested with food. (cdc.gov)
  • Lead entering the intravascular space binds quickly to red blood cells. (medscape.com)
  • Receptor proteins have specific sites into which certain other proteins, called ligands, fit like keys into locks. (medlineplus.gov)
  • As a result, the proteins and the signaling pathways are constantly turned on (constitutively activated), which increases the proliferation and survival of cells and leads to the formation of tumors. (medlineplus.gov)
  • These mechanisms include the ability of lead to inhibit or mimic the action of calcium and to interact with proteins. (cdc.gov)
  • At higher levels of exposure in humans, lead produces cardiac lesions and electrocardiographic abnormalities. (cdc.gov)
  • None of the current data processing pipelines for X-ray crystallography fragment-based lead discovery (FBLD) consults all the information available when deciding on the lattice and symmetry (i.e., the polymorph) of each soaked crystal. (ox.ac.uk)
  • We contend that inherent properties of FGF ligands make them suitable to support specific FGF-dependent processes, and that FGF ligands are not always interchangeable. (biologists.com)
  • Lead can affect virtually every organ or system in the body through mechanisms that involve fundamental biochemical processes. (cdc.gov)
  • The information obtained within these methods will lead to better understanding of formulations, designed for peptide, DNA and anti-cancer drugs delivery. (europa.eu)
  • We also have proprietary methods to dress the surface with targeting ligands. (soci.org)
  • Boron nitride nanotubes (BNNT) are produced by many different methods leading to variances in physicochemical characteristics and impurities in the final product. (cdc.gov)
  • Drosophila melanogaster presents a simpler model system in which to study FGF signaling, with only three ligands and two FGF receptors (FGFRs) identified. (biologists.com)
  • The complex Cr(2,2'-bipyridine)3 is a derivative of Cr(III) bound to three bipyridine1− ligands. (wikipedia.org)
  • Initially, lead is distributed to the blood plasma and soft tissues, but under steady state conditions 99% of the lead in blood is found in the erythrocyte, where much of it is bound to hemoglobin. (cdc.gov)
  • These differences have stimulated the search for subtype-selective ligands. (rcsb.org)
  • From the screen, we identified a family of ERbeta-selective agonists whose members contain bulky oxabicyclic scaffolds in place of the planar scaffolds common to most ER ligands. (rcsb.org)
  • The weak uterotrophic activity of these ligands in immature rats and their ability to stimulate expression of an ERbeta regulated gene in human U2OS osteosarcoma cells provides more physiological evidence of their ERbeta-selective nature. (rcsb.org)
  • These structures illustrate how the bicyclic scaffolds of these ligands are accommodated in the flexible ligand-binding pocket of ER. (rcsb.org)
  • Often, people overload the surface with ligands, so they are cleared by macrophages. (soci.org)
  • Oxidant-dependent pro-inflammatory signaling in macrophages led to the production of CXCR3 ligands (CXCL9,10,11). (cdc.gov)
  • It further leads to activation of the Akt and mTor pathways inside the cell. (proteopedia.org)
  • The only stable binding site of a fifth ligand at the active-site zinc ion is opposite to the normal substrate site, in a narrow cavity behind the zinc ion. (lu.se)
  • Ligand exchange at the zinc ion probably proceeds by a dissociative mechanism. (lu.se)
  • It is a defect in the expression of ligands for selectins due to lack of enzymes required for expression of selectin ligands. (medscape.com)
  • Redox non-innocent behavior of ligands is illustrated by nickel bis(stilbenedithiolate) ([Ni(S2C2Ph2)2]z). (wikipedia.org)
  • However, besides Fe and Zn, rice also can accumulate heavy metals, such as cadmium (Cd) and lead (Pb), which are harmful to people, especially for kids' health. (intechopen.com)
  • In a series of 16 new ligands, mainly based on the piperidine core, we selected three lead structures (, , and ) for further biological evaluation. (iasp-pain.org)
  • A heavy metal, lead is ubiquitous in our environment but has no physiologic role in biological systems. (medscape.com)
  • Epidemiological studies provide evidence for an association between prenatal and postnatal exposure to lead and adverse effects on neurodevelopment in infants and young children, and support the use of PbB as an index of toxicological effect. (cdc.gov)
  • Oral studies in animals support the human evidence regarding neurobehavioral toxicity of lead to infants and children from prenatal and postnatal exposure. (cdc.gov)
  • This disease is a defect in fucose metabolism (lack of fucosylation of the carbohydrate selectin ligands) that results in failure to express the ligand for E and P selectin, sialyl Lewis-X (CD15s) expressed on leukocytes and endothelial cells. (medscape.com)
  • We also ran QM/MM simulations on casein-kinase 2 (CK2), where the ligand and a few surrounding residues were treated at the QM level, and the rest of the system at the MM level. (lu.se)
  • Additional experiments involving DNA release studies, surface modification with targeting ligand and immune activation studies are currently under detailed investigation. (europa.eu)
  • In children, virtually no organ system is immune to the effects of lead poisoning. (medscape.com)
  • This pathway plays a prominent role in inter- and intracellular communication and subversion can lead to cancer, fibrosis vascular disorders, and immune diseases. (lu.se)
  • The range of the variation in the fluorescence signal correlates with the binding of a ligand to the fluorescent target. (genengnews.com)
  • Here, we show by X-ray scattering that nanoparticle membranes formed at air/water interfaces exhibit a small but significant ∼ 6 Å difference in average ligand-shell thickness between their two sides. (nature.com)
  • Imaging of biochemically recurrent prostate cancer has been established as a widely accepted clinical indication for PSMA ligand PET/CT in many parts of the world because of the results of multiple, primarily retrospective, studies that indicate superior detection efficacy compared with standard-of-care imaging. (snmjournals.org)
  • Kidney biopsy results from patient with chronic lead nephropathy show nonspecific tubular atrophy and interstitial fibrosis. (medscape.com)
  • Estimations of blood lead levels are more useful for diagnosing acute lead poisoning, whereas the extent of past lead exposure can be estimated by determining the body burden of lead on the basis of results from the edetate (EDTA) calcium disodium (CaNa 2 EDTA) lead mobilization test. (medscape.com)
  • Here we exploit the multiplexing capabilities of Exchange-PAINT, a multiplexed variant of DNA-PAINT 14 , to image simultaneously five RTKs (EGFR, ErbB2, ErbB3, IGF-1R and Met) at endogenous levels of expression in BT20 cancer cells and to examine how receptor distribution changes following ligand stimulation. (nature.com)
  • The inclusion of Mn-NPs at 3 mg kg-1 in the diet led to a noteworthy downregulation of cortisol and HSP 70 gene expression, indicating their potential in mitigating stress responses. (bvsalud.org)
  • Lead has a half-life of approximately 30 days in the blood, from where it diffuses into the soft tissues, including the kidneys, brain, liver, and bone marrow. (medscape.com)
  • Researchers from the Leibniz Institute on Aging - Fritz Lipmann Institute (FLI) in Jena, Germany, show that the extracellular ligand Wnt7a effectively counteracts muscle wasting through activation of the anabolic AKT/mTOR pathway and thereby reverts the loss of muscle stem cell functionality and muscle mass. (leibniz-gemeinschaft.de)
  • The extracellular ligand Wnt7a activates the anabolic AKT/mTOR pathway in myofibers and reverts the loss of muscle stem cell functionality. (leibniz-gemeinschaft.de)
  • The contribution of lead, as compared with other factors, is relatively small, and whether the observed associations represent causality is controversial. (cdc.gov)
  • Incorporation of chelating ligands in membranes to selectively sorb boric acid is a promising approach for boron removal. (aps.org)
  • Here we analyze the specificity of FGFR [Heartless (Htl) and Breathless (Btl)]activation by each of the FGF ligands [Pyramus (Pyr), Thisbe (Ths) and Branchless (Bnl)] in Drosophila . (biologists.com)
  • To examine the role of each ligand in supporting activation of the Htl FGFR, we utilize genetic approaches that focus on the earliest stages of embryonic development. (biologists.com)
  • It was reported recently that PPARγ activation by its agonistic ligands modifies lymphocyte function. (jci.org)
  • The diamagnetism of this complex arises from anti-ferromagnetic coupling between the unpaired electrons of the two ligand radicals. (wikipedia.org)
  • Signal transduction by receptor tyrosine kinases (RTKs) involves complex ligand- and time-dependent changes in conformation and modification state. (nature.com)
  • In vertebrates, FGF signaling is complex, with over 100 predicted FGF ligand-receptor combinations. (biologists.com)
  • It's a very delicate balance - enough ligands to target the site, but not so many that it affects its stealthiness. (soci.org)
  • For centuries, lead toxicity has been one of the most significant preventable causes of neurologic morbidity from an environmental toxin. (medscape.com)
  • Adverse renal effects have been reported at mean blood lead levels of less than 5 mcg/dL. (medscape.com)
  • Cumulative lead dose has also been associated with worse renal function. (medscape.com)
  • In addition to its effects on renal function, lead has been associated epidemiologically with the development of hypertension. (medscape.com)
  • Currently, 3 forms of lead nephropathy are recognized. (medscape.com)
  • The second is chronic lead nephropathy (see the image below), which is a slowly progressive interstitial nephritis resulting from excessive cumulative exposure to lead and is frequently associated with hypertension and gout. (medscape.com)