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  1. Article ; Online: Essential Paralogous Proteins as Potential Antibiotic Multitargets in Escherichia coli.

    Hardy, Christine D

    Microbiology spectrum

    2022  , Page(s) e0204322

    Abstract: Antimicrobial resistance threatens our current standards of care for the treatment and prevention of infectious disease. Antibiotics that have multiple targets have a lower propensity for the development of antibiotic resistance than those that have ... ...

    Abstract Antimicrobial resistance threatens our current standards of care for the treatment and prevention of infectious disease. Antibiotics that have multiple targets have a lower propensity for the development of antibiotic resistance than those that have single targets and therefore represent an important tool in the fight against antimicrobial resistance. In this work, groups of essential paralogous proteins were identified in the important Gram-negative pathogen Escherichia coli that could represent novel targets for multitargeting antibiotics. These groups include targets from a broad range of essential macromolecular and biosynthetic pathways, including cell wall synthesis, membrane biogenesis, transcription, translation, DNA replication, fatty acid biosynthesis, and riboflavin and isoprenoid biosynthesis. Importantly, three groups of clinically validated antibiotic multitargets were identified using this method: the two subunits of the essential topoisomerases, DNA gyrase and topoisomerase IV, and one pair of penicillin-binding proteins. An additional eighteen protein groups represent potentially novel multitargets that could be explored in drug discovery efforts aimed at developing compounds having multiple targets in E. coli and other bacterial pathogens.
    Language English
    Publishing date 2022-11-29
    Publishing country United States
    Document type Journal Article
    ZDB-ID 2807133-5
    ISSN 2165-0497 ; 2165-0497
    ISSN (online) 2165-0497
    ISSN 2165-0497
    DOI 10.1128/spectrum.02043-22
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase.

    Li, Huiying / Hardy, Christine D / Reidl, Cory T / Jing, Qing / Xue, Fengtian / Cinelli, Maris / Silverman, Richard B / Poulos, Thomas L

    Biochemistry

    2024  Volume 63, Issue 6, Page(s) 788–796

    Abstract: In our efforts to develop inhibitors selective for neuronal nitric oxide synthase (nNOS) over endothelial nitric oxide synthase (eNOS), we found that nNOS can undergo conformational changes in response to inhibitor binding that does not readily occur in ... ...

    Abstract In our efforts to develop inhibitors selective for neuronal nitric oxide synthase (nNOS) over endothelial nitric oxide synthase (eNOS), we found that nNOS can undergo conformational changes in response to inhibitor binding that does not readily occur in eNOS. One change involves movement of a conserved tyrosine, which hydrogen bonds to one of the heme propionates, but in the presence of an inhibitor, changes conformation, enabling part of the inhibitor to hydrogen bond with the heme propionate. This movement does not occur as readily in eNOS and may account for the reason why these inhibitors bind more tightly to nNOS. A second structural change occurs upon the binding of a second inhibitor molecule to nNOS, displacing the pterin cofactor. Binding of this second site inhibitor requires structural changes at the dimer interface, which also occurs more readily in nNOS than in eNOS. Here, we used a combination of crystallography, mutagenesis, and computational methods to better understand the structural basis for these differences in NOS inhibitor binding. Computational results show that a conserved tyrosine near the primary inhibitor binding site is anchored more tightly in eNOS than in nNOS, allowing for less flexibility of this residue. We also find that the inefficiency of eNOS to bind a second inhibitor molecule is likely due to the tighter dimer interface in eNOS compared with nNOS. This study provides a better understanding of how subtle structural differences in NOS isoforms can result in substantial dynamic differences that can be exploited in the development of isoform-selective inhibitors.
    MeSH term(s) Nitric Oxide Synthase/metabolism ; Nitric Oxide Synthase Type III/genetics ; Nitric Oxide Synthase Type III/chemistry ; Nitric Oxide Synthase Type I ; Protein Isoforms/chemistry ; Crystallography, X-Ray ; Enzyme Inhibitors/pharmacology ; Heme/chemistry ; Tyrosine ; Nitric Oxide
    Chemical Substances Nitric Oxide Synthase (EC 1.14.13.39) ; Nitric Oxide Synthase Type III (EC 1.14.13.39) ; Nitric Oxide Synthase Type I (EC 1.14.13.39) ; Protein Isoforms ; Enzyme Inhibitors ; Heme (42VZT0U6YR) ; Tyrosine (42HK56048U) ; Nitric Oxide (31C4KY9ESH)
    Language English
    Publishing date 2024-02-28
    Publishing country United States
    Document type Journal Article
    ZDB-ID 1108-3
    ISSN 1520-4995 ; 0006-2960
    ISSN (online) 1520-4995
    ISSN 0006-2960
    DOI 10.1021/acs.biochem.3c00601
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

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  3. Article ; Online: Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors.

    Vasu, Dhananjayan / Do, Ha T / Li, Huiying / Hardy, Christine D / Awasthi, Amardeep / Poulos, Thomas L / Silverman, Richard B

    Journal of medicinal chemistry

    2023  Volume 66, Issue 14, Page(s) 9934–9953

    Abstract: A series of potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors (hnNOS), based on a difluorobenzene ring linked to a 2-aminopyridine scaffold with different functionalities at the 4-position, is reported. In our ... ...

    Abstract A series of potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors (hnNOS), based on a difluorobenzene ring linked to a 2-aminopyridine scaffold with different functionalities at the 4-position, is reported. In our efforts to develop novel nNOS inhibitors for the treatment of neurodegenerative diseases, we discovered
    MeSH term(s) Rats ; Mice ; Humans ; Animals ; Nitric Oxide Synthase Type I ; Nitric Oxide Synthase/chemistry ; Nitric Oxide Synthase/metabolism ; Enzyme Inhibitors/pharmacology ; Enzyme Inhibitors/chemistry ; Structure-Activity Relationship ; Nitric Oxide
    Chemical Substances Nitric Oxide Synthase Type I (EC 1.14.13.39) ; Nitric Oxide Synthase (EC 1.14.13.39) ; Enzyme Inhibitors ; Nitric Oxide (31C4KY9ESH)
    Language English
    Publishing date 2023-07-11
    Publishing country United States
    Document type Journal Article ; Research Support, N.I.H., Extramural ; Research Support, U.S. Gov't, Non-P.H.S. ; Research Support, Non-U.S. Gov't
    ZDB-ID 218133-2
    ISSN 1520-4804 ; 0022-2623
    ISSN (online) 1520-4804
    ISSN 0022-2623
    DOI 10.1021/acs.jmedchem.3c00782
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    In stock of ZB MED Cologne/Königswinter

    Zs.B 151: Show issues Location:
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  4. Article ; Online: 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.

    Vasu, Dhananjayan / Li, Huiying / Hardy, Christine D / Poulos, Thomas L / Silverman, Richard B

    Bioorganic & medicinal chemistry

    2022  Volume 69, Page(s) 116878

    Abstract: A series of potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors (hnNOS) based on the 2-aminopyridine scaffold with a shortened amino sidechain is reported. A rapid and simple protocol was developed to access these ... ...

    Abstract A series of potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors (hnNOS) based on the 2-aminopyridine scaffold with a shortened amino sidechain is reported. A rapid and simple protocol was developed to access these inhibitors in excellent yields. Neuronal nitric oxide synthase (nNOS) is a novel therapeutic target for the treatment of various neurological disorders. The major challenges in designing nNOS inhibitors in humans focus on potency, selectivity over other isoforms of nitric oxide synthases (NOSs), and blood-brain barrier permeability. In this context, we discovered a promising inhibitor, 6-(3-(4,4-difluoropiperidin-1-yl)propyl)-4-methylpyridin-2-amine dihydrochloride, that exhibits excellent potency for rat (K
    MeSH term(s) Aminopyridines/chemistry ; Aminopyridines/pharmacology ; Animals ; Enzyme Inhibitors/chemistry ; Enzyme Inhibitors/pharmacology ; Humans ; Nitric Oxide ; Nitric Oxide Synthase ; Nitric Oxide Synthase Type I/chemistry ; Nitric Oxide Synthase Type I/metabolism ; Protein Isoforms ; Rats
    Chemical Substances Aminopyridines ; Enzyme Inhibitors ; Protein Isoforms ; Nitric Oxide (31C4KY9ESH) ; Nitric Oxide Synthase (EC 1.14.13.39) ; Nitric Oxide Synthase Type I (EC 1.14.13.39) ; alpha-aminopyridine (WSX981HEWU)
    Language English
    Publishing date 2022-06-11
    Publishing country England
    Document type Journal Article ; Research Support, Non-U.S. Gov't ; Research Support, N.I.H., Extramural
    ZDB-ID 1161284-8
    ISSN 1464-3391 ; 0968-0896
    ISSN (online) 1464-3391
    ISSN 0968-0896
    DOI 10.1016/j.bmc.2022.116878
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

    Zs.A 3815: Show issues Location:
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  5. Article ; Online: Complex/cryptic

    Zou, Ying S / Morsberger, Laura / Hardy, Melanie / Ghabrial, Jen / Stinnett, Victoria / Murry, Jaclyn B / Long, Patty / Kim, Andrew / Pratilas, Christine A / Llosa, Nicolas J / Ladle, Brian H / Lemberg, Kathryn M / Levin, Adam S / Morris, Carol D / Haley, Lisa / Gocke, Christopher D / Gross, John M

    Genes

    2023  Volume 14, Issue 6

    Abstract: Ewing sarcomas (ES) are rare small round cell sarcomas often affecting children and characterized by gene fusions involving one member of the FET family of genes ( ... ...

    Abstract Ewing sarcomas (ES) are rare small round cell sarcomas often affecting children and characterized by gene fusions involving one member of the FET family of genes (usually
    MeSH term(s) Humans ; Sarcoma, Ewing/genetics ; RNA-Binding Proteins/genetics ; Calmodulin-Binding Proteins/genetics ; Translocation, Genetic ; Bone Neoplasms/genetics ; Sarcoma/genetics ; Chromosome Aberrations ; Aneuploidy ; Gene Fusion ; Transcriptional Regulator ERG/genetics ; RNA-Binding Protein EWS/genetics
    Chemical Substances RNA-Binding Proteins ; Calmodulin-Binding Proteins ; ERG protein, human ; Transcriptional Regulator ERG ; EWSR1 protein, human ; RNA-Binding Protein EWS
    Language English
    Publishing date 2023-05-24
    Publishing country Switzerland
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 2527218-4
    ISSN 2073-4425 ; 2073-4425
    ISSN (online) 2073-4425
    ISSN 2073-4425
    DOI 10.3390/genes14061139
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  6. Article: Discovery of a cell-active chikungunya virus nsP2 protease inhibitor using a covalent fragment-based screening approach.

    Merten, Eric M / Sears, John D / Leisner, Tina M / Hardy, Paul B / Ghoshal, Anirban / Hossain, Mohammad Anwar / Asressu, Kesatebrhan Haile / Brown, Peter J / Stashko, Michael A / Herring, Laura E / Mordant, Angie L / Webb, Thomas S / Mills, Christine A / Barker, Natalie K / Arnold, Jamie J / Cameron, Craig E / Streblow, Daniel N / Moorman, Nathaniel J / Heise, Mark /
    Willson, Timothy M / Popov, Konstantin I / Pearce, Kenneth H

    bioRxiv : the preprint server for biology

    2024  

    Abstract: Chikungunya virus (CHIKV) is a mosquito-borne alphavirus that has been responsible for numerous large-scale outbreaks in the last twenty years. Currently, there are no FDA-approved therapeutics for any alphavirus infection. CHIKV non-structural protein 2 ...

    Abstract Chikungunya virus (CHIKV) is a mosquito-borne alphavirus that has been responsible for numerous large-scale outbreaks in the last twenty years. Currently, there are no FDA-approved therapeutics for any alphavirus infection. CHIKV non-structural protein 2 (nsP2), which contains a cysteine protease domain, is essential for viral replication, making it an attractive target for a drug discovery campaign. Here, we optimized a CHIKV nsP2 protease (nsP2pro) biochemical assay for the screening of a 6,120-compound cysteine-directed covalent fragment library. Using a 50% inhibition threshold, we identified 153 hits (2.5% hit rate). In dose-response follow up, RA-0002034, a covalent fragment that contains a vinyl sulfone warhead, inhibited CHIKV nsP2pro with an IC
    Significance statement: Chikungunya virus is one of the most prominent and widespread alphaviruses and has caused explosive outbreaks of arthritic disease. Currently, there are no FDA-approved drugs to treat disease caused by chikungunya virus or any other alphavirus-caused infection. Here, we report the discovery of a covalent small molecule inhibitor of chikungunya virus nsP2 protease activity and viral replication of four diverse alphaviruses. This finding highlights the utility of covalent fragment screening for inhibitor discovery and represents a starting point towards the development of alphavirus therapeutics targeting nsP2 protease.
    Language English
    Publishing date 2024-03-22
    Publishing country United States
    Document type Preprint
    DOI 10.1101/2024.03.22.586341
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  7. Article ; Online: The Canadian Women's Heart Health Alliance Atlas on the Epidemiology, Diagnosis, and Management of Cardiovascular Disease in Women - Chapter 6: Sex- and Gender-Specific Diagnosis and Treatment.

    Parry, Monica / Van Spall, Harriette G C / Mullen, Kerri-Anne / Mulvagh, Sharon L / Pacheco, Christine / Colella, Tracey J F / Clavel, Marie-Annick / Jaffer, Shahin / Foulds, Heather J A / Grewal, Jasmine / Hardy, Marsha / Price, Jennifer A D / Levinsson, Anna L E / Gonsalves, Christine A / Norris, Colleen M

    CJC open

    2022  Volume 4, Issue 7, Page(s) 589–608

    Abstract: This chapter summarizes the sex- and gender-specific diagnosis and treatment of acute/unstable presentations and nacute/stable presentations of cardiovascular disease in women. Guidelines, scientific statements, systematic reviews/meta-analyses, and ... ...

    Abstract This chapter summarizes the sex- and gender-specific diagnosis and treatment of acute/unstable presentations and nacute/stable presentations of cardiovascular disease in women. Guidelines, scientific statements, systematic reviews/meta-analyses, and primary research studies related to diagnosis and treatment of coronary artery disease, cerebrovascular disease (stroke), valvular heart disease, and heart failure in women were reviewed. The evidence is summarized as a narrative, and when available, sex- and gender-specific practice and research recommendations are provided. Acute coronary syndrome presentations and emergency department delays are different in women than they are in men. Coronary angiography remains the gold-standard test for diagnosis of obstructive coronary artery disease. Other diagnostic imaging modalities for ischemic heart disease detection (eg, positron emission tomography, echocardiography, single-photon emission computed tomography, cardiovascular magnetic resonance, coronary computed tomography angiography) have been shown to be useful in women, with their selection dependent upon both the goal of the individualized assessment and the testing resources available. Noncontrast computed tomography and computed tomography angiography are used to diagnose stroke in women. Although sex-specific differences appear to exist in the efficacy of standard treatments for diverse presentations of acute coronary syndrome, many cardiovascular drugs and interventions tested in clinical trials were not powered to detect sex-specific differences, and knowledge gaps remain. Similarly, although knowledge is evolving about sex-specific difference in the management of valvular heart disease, and heart failure with both reduced and preserved ejection fraction, current guidelines are lacking in sex-specific recommendations, and more research is needed.
    Language English
    Publishing date 2022-04-19
    Publishing country United States
    Document type Journal Article ; Review
    ISSN 2589-790X
    ISSN (online) 2589-790X
    DOI 10.1016/j.cjco.2022.04.002
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  8. Article ; Online: Second Victim Syndrome in Trauma Practitioners and Other Ancillary Staff.

    Bakshi, Arjun S / Hardy, Sierra L / Moore, Erica / Nicely, Kelly Wiltse / Koganti, Deepika / Hanos, Dustin / Thompson, Alexis N / Grant, April / Nguyen, Jonathan / Sola, Richard / Williams, Keneeshia N / Sciarretta, Jason D / Dente, Christopher J / Castater, Christine A / Smith, Randi N

    The American surgeon

    2022  Volume 88, Issue 9, Page(s) 2258–2260

    Abstract: In health care, second victims are traumatized clinicians involved in unanticipated or untoward patient events. Programs that address second victim syndrome are sparse and its diagnosis often goes unrecognized. Consistently, literature has identified ... ...

    Abstract In health care, second victims are traumatized clinicians involved in unanticipated or untoward patient events. Programs that address second victim syndrome are sparse and its diagnosis often goes unrecognized. Consistently, literature has identified gaps in support resources, leading to compromised patient care and provider health. This project evaluates the need for second victim resources in trauma care providers at a tertiary public level 1 trauma hospital by electronically implementing a validated second victim survey over 5 weeks. Our results illustrate that second victim syndrome is prevalent among 57.1% of trauma care providers, of which 22.9% agree that second victim syndrome results in some form of undesirable work intentions.
    MeSH term(s) Delivery of Health Care ; Health Personnel ; Humans ; Medical Errors ; Stress, Psychological ; Surveys and Questionnaires
    Language English
    Publishing date 2022-07-15
    Publishing country United States
    Document type Journal Article
    ZDB-ID 202465-2
    ISSN 1555-9823 ; 0003-1348
    ISSN (online) 1555-9823
    ISSN 0003-1348
    DOI 10.1177/00031348221083955
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    Uk I Zs.106: Show issues Location:
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  9. Article ; Online: Complex/cryptic EWSR1::FLI1/ERG Gene Fusions and 1q Jumping Translocation in Pediatric Ewing Sarcomas

    Zou, Ying S. / Morsberger, Laura / Hardy, Melanie / Ghabrial, Jen / Stinnett, Victoria / Murry, Jaclyn B. / Long, Patty / Kim, Andrew / Pratilas, Christine A. / Llosa, Nicolas J. / Ladle, Brian H. / Lemberg, Kathryn M. / Levin, Adam S. / Morris, Carol D. / Haley, Lisa / Gocke, Christopher D. / Gross, John M.

    Genes (Basel). 2023 May 24, v. 14, no. 6

    2023  

    Abstract: Ewing sarcomas (ES) are rare small round cell sarcomas often affecting children and characterized by gene fusions involving one member of the FET family of genes (usually EWSR1) and a member of the ETS family of transcription factors (usually FLI1 or ERG) ...

    Abstract Ewing sarcomas (ES) are rare small round cell sarcomas often affecting children and characterized by gene fusions involving one member of the FET family of genes (usually EWSR1) and a member of the ETS family of transcription factors (usually FLI1 or ERG). The detection of EWSR1 rearrangements has important diagnostic value. Here, we conducted a retrospective review of 218 consecutive pediatric ES at diagnosis and found eight patients having data from chromosome analysis, FISH/microarray, and gene-fusion assay. Three of these eight ES had novel complex/cryptic EWSR1 rearrangements/fusions by chromosome analysis. One case had a t(9;11;22)(q22;q24;q12) three-way translocation involving EWSR1::FLI1 fusion and 1q jumping translocation. Two cases had cryptic EWSR1 rearrangements/fusions, including one case with a cryptic t(4;11;22)(q35;q24;q12) three-way translocation involving EWSR1::FLI1 fusion, and the other had a cryptic EWSR1::ERG rearrangement/fusion on an abnormal chromosome 22. All patients in this study had various aneuploidies with a gain of chromosome 8 (75%), the most common, followed by a gain of chromosomes 20 (50%) and 4 (37.5%), respectively. Recognition of complex and/or cryptic EWSR1 gene rearrangements/fusions and other chromosome abnormalities (such as jumping translocation and aneuploidies) using a combination of various genetic methods is important for accurate diagnosis, prognosis, and treatment outcomes of pediatric ES.
    Keywords aneuploidy ; chromosomes ; cytogenetic analysis ; fish ; gene fusion ; genes ; microarray technology ; prognosis
    Language English
    Dates of publication 2023-0524
    Publishing place Multidisciplinary Digital Publishing Institute
    Document type Article ; Online
    ZDB-ID 2527218-4
    ISSN 2073-4425
    ISSN 2073-4425
    DOI 10.3390/genes14061139
    Database NAL-Catalogue (AGRICOLA)

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  10. Article: The Current State-of-the Art of LRRK2-Based Biomarker Assay Development in Parkinson's Disease.

    Rideout, Hardy J / Chartier-Harlin, Marie-Christine / Fell, Matthew J / Hirst, Warren D / Huntwork-Rodriguez, Sarah / Leyns, Cheryl E G / Mabrouk, Omar S / Taymans, Jean-Marc

    Frontiers in neuroscience

    2020  Volume 14, Page(s) 865

    Abstract: Evidence is mounting that LRRK2 function, particularly its kinase activity, is elevated in multiple forms of Parkinson's disease, both idiopathic as well as familial forms linked to mutations in ... ...

    Abstract Evidence is mounting that LRRK2 function, particularly its kinase activity, is elevated in multiple forms of Parkinson's disease, both idiopathic as well as familial forms linked to mutations in the
    Language English
    Publishing date 2020-08-18
    Publishing country Switzerland
    Document type Journal Article ; Review
    ZDB-ID 2411902-7
    ISSN 1662-453X ; 1662-4548
    ISSN (online) 1662-453X
    ISSN 1662-4548
    DOI 10.3389/fnins.2020.00865
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