Abstract:
:Dopamine is an important neurotransmitter that plays a key role in a wide range of both locomotive and cognitive functions in humans. Disturbances on the dopaminergic system cause, among others, psychosis, Parkinson's disease and Huntington's disease. Antipsychotics are drugs that interact primarily with the dopamine receptors and are thus important for the control of psychosis and related disorders. These drugs function as agonists or antagonists and are classified as such in the literature. However, there is still much to learn about the underlying mechanism of action of these drugs. The goal of this investigation is to analyze the intrinsic chemical reactivity, more specifically, the electron donor-acceptor capacity of 217 molecules used as dopaminergic substances, particularly focusing on drugs used to treat psychosis. We analyzed 86 molecules categorized as agonists and 131 molecules classified as antagonists, applying Density Functional Theory calculations. Results show that most of the agonists are electron donors, as is dopamine, whereas most of the antagonists are electron acceptors. Therefore, a new characterization based on the electron transfer capacity is proposed in this study. This new classification can guide the clinical decision-making process based on the physiopathological knowledge of the dopaminergic diseases.
journal_name
Sci Repjournal_title
Scientific reportsauthors
Goode-Romero G,Winnberg U,Domínguez L,Ibarra IA,Vargas R,Winnberg E,Martínez Adoi
10.1038/s41598-020-78446-4subject
Has Abstractpub_date
2020-12-09 00:00:00pages
21581issue
1issn
2045-2322pii
10.1038/s41598-020-78446-4journal_volume
10pub_type
杂志文章abstract::By combining the two basic deformation mechanisms for auxetic open-cell metamaterials, re-entrant angle and chirality, new hybrid chiral mechanical metamaterials are designed and fabricated via a multi-material 3D printer. Results from mechanical experiments on the 3D printed prototypes and systematic Finite Element (...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-018-20795-2
更新日期:2018-02-05 00:00:00
abstract::Giant unilamellar vesicles (GUVs) are increasingly used as a versatile research tool to investigate membrane structure, morphology and phase state. In these studies, GUV preparation is typically enhanced by an externally applied electric field, a process called electroformation. We find that upon osmotic deflation, GU...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-018-30286-z
更新日期:2018-08-07 00:00:00
abstract::Estrogen deprivation aggravates cardiac injury after myocardial ischemia and reperfusion (I/R) injury. Although either estrogen or the dipeptidyl peptidase-4 (DPP-4) inhibitor, vildagliptin, reduces myocardial damage following cardiac I/R, their effects on the heart in obese-insulin resistant and estrogen deprived con...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep44306
更新日期:2017-03-10 00:00:00
abstract::Recent advances in next-generation sequencing technologies have paved the path for a considerable amount of sequencing data at a relatively low cost. This has revolutionized the genomics and transcriptomics studies. However, different challenges are now created in handling such data with available bioinformatics platf...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-020-75270-8
更新日期:2020-10-26 00:00:00
abstract::The pathological mechanism of Kashin-Beck disease (KBD), an endemic osteoarthritic disease, remains to be poorly understood. This study was designed to identify signaling pathways and crucial proteins involved in the pathological mechanism of KBD compared with osteoarthritis (OA). The knee cartilage samples were colle...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-020-63932-6
更新日期:2020-04-22 00:00:00
abstract::While p-n homojunctions in two-dimensional transition metal dichalcogenide materials have been widely reported, few show an ideality factor that is constant over more than a decade in current. In this paper, electric double layer p-i-n junctions in WSe2 are shown with substantially constant ideality factors (2-3) over...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-020-69523-9
更新日期:2020-07-30 00:00:00
abstract::Habitats along linear infrastructure, such as roads and electrical transmission lines, can have high local biodiversity. To determine whether these habitats also contribute to landscape-scale biodiversity, we estimated species richness, evenness and phylogenetic diversity of plant, butterfly and bumblebee communities ...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-020-78090-y
更新日期:2020-12-07 00:00:00
abstract::The analysis of structural and functional neuroimaging data using graph theory has increasingly become a popular approach for visualising and understanding anatomical and functional relationships between different cerebral areas. In this work we applied a network-based approach for brain PET studies using population-b...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-019-39005-8
更新日期:2019-02-21 00:00:00
abstract::Prostate cancer (PCa) is the second most common cancer among men worldwide. Its etiology remains largely unknown compared to other common cancers. We have developed a risk stratification model combining environmental factors with family history and genetic susceptibility. 818 PCa cases and 1,006 healthy controls were ...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-017-09386-9
更新日期:2017-08-21 00:00:00
abstract::As part of efforts to reduce pressure on the Amazon and other biomes, one approach considered by Brazilian authorities and scientists is more intensive use of the soils of the interior of the northeast of the country, which are generally sandy, with low contents of organic matter and low water holding capacity and are...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-018-28794-z
更新日期:2018-07-16 00:00:00
abstract::Nitric oxide (NO), a vascular signaling molecule, is primarily produced by endothelial NO synthase. Recently, a functional endothelial NO synthase (eNOS) was described in red blood cells (RBC). The RBC-eNOS contributes to the intravascular NO pool and regulates physiological functions. However the regulatory mechanism...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep26935
更新日期:2016-06-27 00:00:00
abstract::SLC7A10 (Asc-1) is a sodium-independent amino acid transporter known to facilitate transport of a number of amino acids including glycine, L-serine, L-alanine, and L-cysteine, as well as their D-enantiomers. It has been described as a neuronal transporter with a primary role related to modulation of excitatory glutama...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep35592
更新日期:2016-10-19 00:00:00
abstract::Cellular interactions can be modeled as complex dynamical systems represented by weighted graphs. The functionality of such networks, including measures of robustness, reliability, performance, and efficiency, are intrinsically tied to the topology and geometry of the underlying graph. Utilizing recently proposed geom...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep12323
更新日期:2015-07-14 00:00:00
abstract::Mitochondria act as a platform for antiviral innate immunity, and the immune system depends on activation of the retinoic acid-inducible gene I (RIG-I)-like receptors (RLR) signaling pathway via an adaptor molecule, mitochondrial antiviral signaling. We report that RLR-mediated antiviral innate immunity requires oxida...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-017-05808-w
更新日期:2017-07-14 00:00:00
abstract::The process, how lipids are removed from the circulation and transferred from high density lipoprotein (HDL) - a main carrier of cholesterol in the blood stream - to cells, is highly complex. HDL particles are captured from the blood stream by the scavenger receptor, class B, type I (SR-BI), the so-called HDL receptor...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-017-15949-7
更新日期:2017-11-21 00:00:00
abstract::Visceral leishmaniasis (VL) is a fatal form of leishmaniasis which affects 70 countries, worldwide. Increasing drug resistance, HIV co-infection, and poor health system require operative vaccination strategy to control the VL transmission dynamics. Therefore, a holistic approach is needed to generate T and B memory ce...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-017-08842-w
更新日期:2017-08-15 00:00:00
abstract::Although differentiated thyroid carcinoma (DTC) has a good prognosis and survival rate, long-term medication and recurrence monitoring might be needed. The factors that affect postoperative health-related quality of life (HRQoL) in patients with DTC in different regions remain unclear or conflicting. The purpose of th...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-020-62731-3
更新日期:2020-04-01 00:00:00
abstract::One of the major drawbacks of cheminformatics is a large amount of information present in the datasets. In the majority of cases, this information contains redundant instances that affect the analysis of similarity measurements with respect to drug design and discovery. Therefore, using classical methods such as the p...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-020-71502-z
更新日期:2020-09-02 00:00:00
abstract::The root system displays a remarkable plasticity that enables plants to adapt to changing environmental conditions. This plasticity is tightly linked to the activity of root apical meristems (RAMs) and to the formation of lateral roots, both controlled by related hormonal crosstalks. In Arabidopsis thaliana, gibberell...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-019-38876-1
更新日期:2019-02-20 00:00:00
abstract::There is a lack of evidence that either conventional observational rating scale or biomechanical system is a better tremor assessment tool. This work focuses on comparing a biomechanical system and the Movement Disorder Society-sponsored revision of the Unified Parkinson's Disease Rating Scale in terms of test-retest ...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-019-44142-1
更新日期:2019-05-31 00:00:00
abstract::An amendment to this paper has been published and can be accessed via a link at the top of the paper. ...
journal_title:Scientific reports
pub_type: 已发布勘误
doi:10.1038/s41598-020-75952-3
更新日期:2020-10-29 00:00:00
abstract::Dorso-ventral (DV) countershading is a highly-conserved pigmentary adaptation in vertebrates. In mammals, spatially regulated expression of agouti-signaling protein (ASIP) generates the difference in shading by driving a switch between the production of chemically-distinct melanins in melanocytes in dorsal and ventral...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-019-40251-z
更新日期:2019-03-05 00:00:00
abstract::Photocatalysis is a promising strategy to address the global environmental and energy challenges. However, the studies on the application of the photocatalytically degraded dye-polluted water and the multi-purpose use of one type of catalyst have remained sparse. In this report, we try to demonstrate a concept of mult...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-017-12504-2
更新日期:2017-09-25 00:00:00
abstract::Hydrogels are being extensively used for three-dimensional immobilization and culture of cells in fundamental biological studies, biochemical processes, and clinical treatments. However, it is still a challenge to support viability and regulate phenotypic activities of cells in a structurally stable gel, because the g...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep08948
更新日期:2015-03-10 00:00:00
abstract::Kuding tea is implicated in alleviating metabolic disorders in traditional Chinese medicine. However, the role of Ilex latifolia Thunb (kuding tea), one of the large leaf kuding tea species, in the prevention of the development of obesity remains to be determined. We show here that 7-week-old male mice treated with an...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-017-15292-x
更新日期:2017-11-07 00:00:00
abstract::The primary objective of this study was to evaluate how schizophrenia (SCH) spectrum disorders and applied antipsychotic (AP) treatment affect serum level of amino acids (AAs) and biogenic amines (BAs) in the early course of the disorder. We measured 21 different AAs and 10 BAs in a sample of antipsychotic (AP)-naïve ...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-020-71014-w
更新日期:2020-08-19 00:00:00
abstract::Prosthesis embodiment, the perception of a prosthesis as part of one's body, may be an important component of functional recovery for individuals with upper limb absence. This work determined whether embodiment differs between body-powered and myoelectric prosthesis users. In a sample of nine individuals with transrad...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-020-72470-0
更新日期:2020-09-22 00:00:00
abstract::In swine the upper reproductive tract undergoes early postnatal development, however little is known about the lower reproductive tract. Our objective was to measure cytology and proteome of vaginal swab samples taken on postnatal day (PND) 2 and 16 in gilts to determine if temporal changes occurred in cell and protei...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-019-49597-w
更新日期:2019-09-13 00:00:00
abstract::Advanced glycation end products (AGEs) are sugar-modified biomolecules that accumulate in the body with advancing age, and are implicated in the development of multiple age-associated structural and functional abnormities and diseases. It has been well documented that AGEs signal via their receptor RAGE to activate se...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep18822
更新日期:2016-01-05 00:00:00
abstract::Extracellular matrix (ECM) mechanical properties upregulate cancer invasion, cell contractility, and focal adhesion formation. Alteration in energy metabolism is a known characteristic of cancer cells (i.e., Warburg effect) and modulates cell invasion. There is little evidence to show if collagen density can alter can...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-018-35381-9
更新日期:2018-11-20 00:00:00