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New information of ...
New information of dopaminergic agents based on quantum chemistry calculations
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- Goode-Romero, Guillermo (författare)
- Universidad Nacional Autónoma de México, Mexico
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- Winnberg, Ulrika (författare)
- Instituto Tecnológico Autónomo de México, Mexico
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- Domínguez, Laura (författare)
- Universidad Nacional Autónoma de México, Mexico
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- Ibarra, Ilich A (författare)
- Universidad Nacional Autónoma de México, Mexico
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- Vargas, Rubicelia (författare)
- Universidad Autónoma Metropolitana, Mexico
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- Winnberg, Elisabeth, 1958- (författare)
- Ersta Sköndal Bräcke högskola,Institutionen för vårdvetenskap
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- Martínez, Ana (författare)
- Universidad Nacional Autónoma de México, Mexico
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(creator_code:org_t)
- 2020-12-09
- 2020
- Engelska.
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Ingår i: Scientific Reports. - : Springer Science and Business Media LLC. - 2045-2322. ; 10:1
- Relaterad länk:
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https://doi.org/10.1...
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https://www.nature.c...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- 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.
Ämnesord
- MEDICIN OCH HÄLSOVETENSKAP -- Medicinska och farmaceutiska grundvetenskaper -- Farmaceutiska vetenskaper (hsv//swe)
- MEDICAL AND HEALTH SCIENCES -- Basic Medicine -- Pharmaceutical Sciences (hsv//eng)
- MEDICIN OCH HÄLSOVETENSKAP -- Medicinska och farmaceutiska grundvetenskaper -- Neurovetenskaper (hsv//swe)
- MEDICAL AND HEALTH SCIENCES -- Basic Medicine -- Neurosciences (hsv//eng)
- MEDICIN OCH HÄLSOVETENSKAP -- Medicinsk bioteknologi -- Medicinsk bioteknologi (hsv//swe)
- MEDICAL AND HEALTH SCIENCES -- Medical Biotechnology -- Medical Biotechnology (hsv//eng)
Nyckelord
- Biochemistry
- Biophysical chemistry
- Biophysics
- Chemistry
- Medical research
- Neuroscience
- Physics
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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