Benperidol for schizophrenia

Leucht, Stefan; Hartung, Benno

doi:10.1002/14651858.cd003083

Cited by 3 publications

(3 citation statements)

References 17 publications

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“…Benperidol is a butanone-based antipsychotic drug that has been launched for many years and is also valuable for subgroups of patients with schizophrenia . Interestingly, Lehrer and Rheinstein revealed that a 117-base pair SARS-CoV-2 sequence could match a sequence in the human NTNG1 gene with 94.6% identity .…”

Section: Resultsmentioning

confidence: 99%

Attention Mechanism-Based Graph Neural Network Model for Effective Activity Prediction of SARS-CoV-2 Main Protease Inhibitors: Application to Drug Repurposing as Potential COVID-19 Therapy

Wu,

Li,

et al. 2023

J. Chem. Inf. Model.

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Compared to de novo drug discovery, drug repurposing provides a time-efficient way to treat coronavirus disease 19 (COVID-19) that is caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). SARS-CoV-2 main protease (Mpro) has been proved to be an attractive drug target due to its pivotal involvement in viral replication and transcription. Here, we present a graph neural network-based deep-learning (DL) strategy to prioritize the existing drugs for their potential therapeutic effects against SARS-CoV-2 Mpro. Mpro inhibitors were represented as molecular graphs ready for graph attention network (GAT) and graph isomorphism network (GIN) modeling for predicting the inhibitory activities. The result shows that the GAT model outperforms the GIN and other competitive models and yields satisfactory predictions for unseen Mpro inhibitors, confirming its robustness and generalization. The attention mechanism of GAT enables to capture the dominant substructures and thus to realize the interpretability of the model. Finally, we applied the optimal GAT model in conjunction with molecular docking simulations to screen the Drug Repurposing Hub (DRH) database. As a result, 18 drug hits with best consensus prediction scores and binding affinity values were identified as the potential therapeutics against COVID-19. Both the extensive literature searching and evaluations on adsorption, distribution, metabolism, excretion, and toxicity (ADMET) illustrate the premium drug-likeness and pharmacokinetic properties of the drug candidates. Overall, our work not only provides an effective GAT-based DL prediction tool for inhibitory activity of SARS-CoV-2 Mpro inhibitors but also provides theoretical guidelines for drug discovery in the COVID-19 treatment.

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Section: Resultsmentioning

confidence: 99%

Attention Mechanism-Based Graph Neural Network Model for Effective Activity Prediction of SARS-CoV-2 Main Protease Inhibitors: Application to Drug Repurposing as Potential COVID-19 Therapy

Wu,

Li,

et al. 2023

J. Chem. Inf. Model.

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“…Contudo, focalizando primariamente os não-respondedores, observou-se uma discreta superioridade do lítio (versus placebo) quando em associação a antipsicóticos (Leucht et al, 2004a). Além disso, o lítio em monoterapia se mostrou inferior aos antipsicóticos quando os pacientes com transtorno esquizoafetivo foram excluídos da análise.…”

Section: Estabilizadores Do Humor E Anticonvulsivantesunclassified

Diretrizes da Federação Mundial das Sociedades de Psiquiatria Biológica para o tratamento biológico da esquizofrenia. Parte 1: tratamento agudo

Falkai¹,

Wobrock²,

Lieberman³

et al. 2006

Rev. psiquiatr. clín.

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ResumoEstas diretrizes para o tratamento biológico da esquizofrenia foram desenvolvidas pela Força-Tarefa da Federação Mundial das Sociedades de Psiquiatria Biológica (World Federation of Societies of Biological Psychiatry, WFSBP). A meta fixada durante o desenvolvimento destas diretrizes foi rever sistematicamente todas as evidências disponíveis referentes ao tratamento da esquizofrenia, tanto no âmbito clínico como científico, e chegar a um consenso sobre as principais recomendações para a prática psiquiátrica. Estas diretrizes são destinadas a todos os médicos que atendem e tratam de pacientes portadores de esquizofrenia. Os dados usados para desenvolver estas diretrizes foram extraídos primariamente de vários painéis e diretrizes nacionais de tratamento para esquizofrenia, assim como de metanálises, revisões e estudos clínicos randomizados sobre a eficácia do tratamento farmacológico e de outras intervenções terapêuticas biológicas, identificadas por uma busca nas bases de dados MedLine e Biblioteca Cochrane. A literatura identificada foi avaliada no que diz respeito à solidez das evidências a favor da eficácia de uma dada intervenção e,

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“…Ki = 0.027 nM for dopamine D 2 receptors[322]. -Has highest neuroleptic potency in terms of dopamine D 2 receptor blockade[323].…”

mentioning

confidence: 99%

Dopamine receptors in emesis: Molecular mechanisms and potential therapeutic function

Belkacemi

Darmani

2020

Pharmacological Research

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Benperidol for schizophrenia

Cited by 3 publications

References 17 publications

Attention Mechanism-Based Graph Neural Network Model for Effective Activity Prediction of SARS-CoV-2 Main Protease Inhibitors: Application to Drug Repurposing as Potential COVID-19 Therapy

Attention Mechanism-Based Graph Neural Network Model for Effective Activity Prediction of SARS-CoV-2 Main Protease Inhibitors: Application to Drug Repurposing as Potential COVID-19 Therapy

Diretrizes da Federação Mundial das Sociedades de Psiquiatria Biológica para o tratamento biológico da esquizofrenia. Parte 1: tratamento agudo

Dopamine receptors in emesis: Molecular mechanisms and potential therapeutic function

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