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In silico investigation on the probable macromolecular drug targets involved in the anti-schizophrenia activity of Nardostachys jatamansi
Wei, Foong Xi; Gaurav, Anand; Al-Nema, Mayasah.
Afiliação
  • Wei, Foong Xi; UCSI University. Faculty of Pharmaceutical Sciences. Kuala Lumpur. MY
  • Gaurav, Anand; UCSI University. Faculty of Pharmaceutical Sciences. Kuala Lumpur. MY
  • Al-Nema, Mayasah; UCSI University. Faculty of Pharmaceutical Sciences. Kuala Lumpur. MY
Braz. J. Pharm. Sci. (Online) ; 58: e191134, 2022. tab, graf
Artigo em Inglês | LILACS | ID: biblio-1394031
Biblioteca responsável: BR40.1
Localização: BR40.1
ABSTRACT
Abstract Existing medications i.e. the antipsychotic drugs are known to be effective in treating only the positive symptoms of schizophrenia, while being ineffective on negative and cognitive symptoms of the disease. In addition, these medications cause extrapyramidal symptoms, forcing many patients towards natural medicine in the hope of minimizing the unwanted adverse effects. Nardostachys jatamansi is a medicinal plant that has been traditionally prescribed for various types of brain disorders. The active constituents of the plant have beneficial effects on the negative and cognitive symptoms of schizophrenia. This study was designed to identify the active constituents of Nardostachys jatamansi with the highest binding affinities for the key macromolecular drug targets involved in the pathophysiology of schizophrenia and thereby elucidate the possible mechanism of action. These targets are dopamine receptors, Gamma-aminobutyric acid receptors, N-methyl-D-aspartate receptors and Phosphodiesterase 10A. The results of molecular docking showed that, β-sitosterol, chlorogenic acid, oleanic acid and ursolic acid, displayed high binding affinity toward all the macromolecular drug targets. Ligands with steroid backbone and pentacyclic triterpene structure have been found to possess high binding affinity toward the dopamine receptor and phosphodiesterase 10A. While ligands with carbonyl group form stronger binding interactions with the N-methyl-D-aspartate receptor.
Assuntos


Texto completo: Disponível Coleções: Bases de dados internacionais Base de dados: LILACS Assunto principal: Plantas Medicinais / Pesquisa / Preparações Farmacêuticas / Valerianaceae / Nardostachys Idioma: Inglês Revista: Braz. J. Pharm. Sci. (Online) Assunto da revista: Farmacologia / Terapˆutica / Toxicologia Ano de publicação: 2022 Tipo de documento: Artigo País de afiliação: Malásia Instituição/País de afiliação: UCSI University/MY

Texto completo: Disponível Coleções: Bases de dados internacionais Base de dados: LILACS Assunto principal: Plantas Medicinais / Pesquisa / Preparações Farmacêuticas / Valerianaceae / Nardostachys Idioma: Inglês Revista: Braz. J. Pharm. Sci. (Online) Assunto da revista: Farmacologia / Terapˆutica / Toxicologia Ano de publicação: 2022 Tipo de documento: Artigo País de afiliação: Malásia Instituição/País de afiliação: UCSI University/MY
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