A5009357275- Insect and Pesticide Research
- Nicotinic Acetylcholine Receptors Study
- Insect-Plant Interactions and Control
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Per- and polyfluoroalkyl substances research
- Effects and risks of endocrine disrupting chemicals
- Plant and animal studies
- Receptor Mechanisms and Signaling
- Synthesis and Biological Evaluation
- Advanced Chemical Physics Studies
- Pharmacological Effects and Assays
- Analytical Chemistry and Chromatography
- Insect Pest Control Strategies
- Neurobiology and Insect Physiology Research
- Lung Cancer Treatments and Mutations
- Computational Drug Discovery Methods
- Crystallography and molecular interactions
- Toxic Organic Pollutants Impact
- Chemical Synthesis and Reactions
- Hormonal and reproductive studies
- Various Chemistry Research Topics
- Asymmetric Hydrogenation and Catalysis
- Asymmetric Synthesis and Catalysis
- Surface Chemistry and Catalysis
University of California, Berkeley
2013-2024
University of Southampton
2024
University of California, Davis
2003-2020
California Institute of Technology
2009
University of Montana
2009
University of California, San Francisco
2007-2009
Gifu University
2008-2009
Miyoshi Kasei (Japan)
2006
Université d'Angers
2006
Avery Dennison (United States)
2006
Circulating tumour DNA (ctDNA) analysis facilitates studies of heterogeneity. Here we employ CAPP-Seq ctDNA to study resistance mechanisms in 43 non-small cell lung cancer (NSCLC) patients treated with the third-generation epidermal growth factor receptor (EGFR) inhibitor rociletinib. We observe multiple 46% after treatment first-line inhibitors, indicating frequent intra-patient Rociletinib recurrently involves MET, EGFR, PIK3CA, ERRB2, KRAS and RB1. describe a novel EGFR L798I mutation...
Neonicotinoid insecticides control crop pests based on their action as agonists at the insect nicotinic acetylcholine receptor, which accepts chloropyridinyl- and chlorothiazolyl-analogs almost equally well. In some cases, these compounds have also been reported to enhance plant vigor (a)biotic stress tolerance, independent of insecticidal function. However, this mode has not defined. Using Arabidopsis thaliana , we show that neonicotinoid compounds, imidacloprid (IMI) clothianidin (CLO),...
Several major insecticides, including α-endosulfan, lindane, and fipronil, the botanical picrotoxinin are noncompetitive antagonists (NCAs) for GABA receptor. We showed earlier that human β 3 homopentameric A receptor recognizes all of important GABAergic insecticides reproduces high insecticide sensitivity structure-activity relationships native insect Despite large structural diversity, NCAs proposed to fit a single binding site in chloride channel lumen lined by five transmembrane 2...
Cation−π interaction, a prominent feature in agonist recognition by neurotransmitter-gated ion channels, does not apply to the anomalous action of neonicotinoids at insect nicotinic acetylcholine receptor (nAChR). Insect-selective have an electronegative pharmacophore (tip) place ammonium or iminium cation vertebrate-selective nicotinoids, suggesting topological divergence agonist-binding sites and vertebrate nAChRs. This study defines molecular electronic basis for potent selective...
Adsorption and hydrolysis of xylan polysaccharides extracted from Miscanthus biomass are demonstrated, using surface-functionalized MCN (mesoporous carbon nanoparticle) materials that comprise weak-acid sites, at a pH corresponding to extract. Extracted consist peak molecular weight 2008 g/mol according GPC (gel-permeation chromatography), approximately 15 xylose repeat units, and, calculated length 7 nm radius gyration 2.0 based on dynamics simulations. A highly active material for the...
Per- and poly-fluoroalkyl substances (PFASs) are persistent, toxic chemicals that pose significant hazards to human health the environment. Screening large numbers of for their ability act as endocrine disruptors by modulating activity nuclear receptors (NRs) is challenging because time cost in vitro vivo experiments. For this reason, we need computational approaches screen these quickly prioritize them further testing. Here, utilized molecular modeling machine-learning predictions identify...
The nicotinic acetylcholine (ACh) receptor (nAChR) plays a crucial role in excitatory neurotransmission and is an important target for drugs insecticides. Diverse nAChR subtypes with various subunit combinations confer differential selectivity drugs. We investigated the subtype of agonists by comparing two ACh-binding proteins (AChBPs) as structural surrogates distinct pharmacological profiles [i.e., Lymnaea stagnalis ( Ls ) AChBP low neonicotinoid high nicotinoid sensitivities Aplysia...
A novel chemotype insecticide flupyrimin (FLP) [N-[(E)-1-(6-chloro-3-pyridinylmethyl)pyridin-2(1H)-ylidene]-2,2,2-trifluoroacetamide], discovered by Meiji Seika Pharma, has unique biological properties, including outstanding potency to imidacloprid (IMI)-resistant rice pests together with superior safety toward pollinators. Intriguingly, FLP acts as a nicotinic antagonist in American cockroach neurons, and [3H]FLP binds the multiple high-affinity binding components house fly acetylcholine...
Androgen receptor (AR) is a steroid hormone nuclear which upon binding its endogenous androgenic ligands (agonists), testosterone and dihydrotestosterone (DHT), alters gene transcription, producing diverse range of biological effects. Antiandrogens, such as the pharmaceuticals bicalutamide hydroxyflutamide, act agonists in absence androgens antagonists their presence or high concentration. The atomic level mechanism action by AR less well characterized. Therefore, this study, multiple 1 μs...
Per- and poly-fluoroalkyl substances (PFASs) are used extensively in a broad range of industrial applications consumer products. While few legacy PFASs have been voluntarily phased out, over 5000 produced as replacements for their predecessors. The potential endocrine disrupting hazards most emerging not comprehensively investigated. In silico molecular docking to the human androgen receptor (hAR) combined with machine learning techniques were previously applied 5206 predicted 23 bind hAR....
Two types of structurally similar nicotinic agonists have very different biological and physicochemical properties. Neonicotinoids, important insecticides including imidacloprid thiacloprid, are nonprotonated selective for insects their receptors, whereas nicotinoids such as nicotine epibatidine cationic mammalian systems. We discovered that a mollusk acetylcholine binding protein (AChBP), structural surrogate the extracellular ligand-binding domain receptor, is similarly sensitive to...
Significance The insect nicotinic receptor is the direct or indirect target for neonicotinoids, organophosphorus compounds, and methylcarbamates, which make up about 45% of insecticides by number world market value. In this study, house fly brain in vivo interactions with neurotoxicants are revealed a unique radioligand reporter assay, providing proof events at level leading to poisoning these three major insecticide chemotypes.
Abstract Simple alcohols and ethers have been studied with the MM4 force field. The structures of 13 molecules well fit using Moments inertia rms percentage errors as indicated: 18 moments for ethers, 0.28%; 21 alcohols, 0.22%. Rotational barriers conformational equilibria also examined, experimental ab initio results are reproduced substantially better than they were MM3. Much improvement comes from use additional interaction terms in constant matrix, which torsion–bend torsion–torsion...
Molecular interactions of neonicotinoid insecticides with the nicotinic acetylcholine receptor have been mapped by chemical and structural neurobiology approaches, thereby encouraging biorational design novel ligands. This investigation designs, prepares, evaluates target site potency analogues various types electronegative pharmacophores subsequently predicts their molecular recognition in ligand-binding pocket. The N-nitroimino (NNO2) pharmacophore is systematically replaced N-nitrosoimino...
Trichloroethylene (TCE) is a ubiquitous environmental contaminant, which may have effects on both ecosystem and human health. TCE has been reported to cause several toxic effects, but little effort made assess the ecological risks of or its major metabolites: trichloroethanol (TCOH), trichloroacetic acid, oxalic acid (OA). In this study, endocrine-disrupting potential metabolites were investigated using in vitro silico approaches. We examined alterations steroidogenesis pathway NCI-H295R...