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Biological evaluation, DFT calculations and molecular docking studies on the antidepressant and cytotoxicity activities of Cycas pectinata buch.-ham. compounds

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dc.contributor.author Rahman, Jinnat
dc.contributor.author Tareq, Abu Montakim
dc.contributor.author Hossain, Md. Mohotasin
dc.contributor.author Sakib, Shahenur Alam
dc.contributor.author Islam, Mohammad Nazmul
dc.contributor.author Ali, Md. Hazrat
dc.contributor.author Uddin, A. B. M. Neshar
dc.contributor.author Hoque, Muminul
dc.contributor.author Nasrin, Mst. Samima
dc.contributor.author Emran, Talha Bin
dc.contributor.author Capasso, Raffaele
dc.contributor.author Reza, A. S. M. Ali
dc.contributor.author Simal Gándara, Jesús
dc.date.accessioned 2021-02-23T07:46:08Z
dc.date.available 2021-02-23T07:46:08Z
dc.date.issued 2020-09-03
dc.identifier.citation Pharmaceuticals, 13(9): 232 (2020) spa
dc.identifier.issn 14248247
dc.identifier.uri http://hdl.handle.net/11093/1779
dc.description.abstract Cycas pectinata Buch.-Ham. is commonly used in folk medicine against various disorders. The present study investigated the antidepressant and cytotoxicity activity of methanol extract of C. pectinata (MECP) along with quantitative phytochemical analysis by GC-MS method. Here, the GC-MS study of MECP presented 41 compounds, among which most were fatty acids, esters, terpenoids and oximes. The antidepressant activity was assessed by the forced swimming test (FST) and tail suspension test (TST) models. In contrast, MECP (200 and 400 mg/kg) exhibited a significant and dose-dependent manner reduction in immobility comparable with fluoxetine (10 mg/kg) and phenelzine (20 mg/kg). MECP showed a weak toxicity level in the brine shrimp lethality bioassay (ED50: 358.65 µg/mL) comparable to the standard drug vincristine sulfate (ED50: 2.39 µg/mL). Three compounds from the GC-MS study were subjected to density functional theory (DFT) calculations, where only cyclopentadecanone oxime showed positive and negative active binding sites. Cyclopentadecanone oxime also showed a good binding interaction in suppressing depression disorders by blocking monoamine oxidase and serotonin receptors with better pharmacokinetic and toxicological properties. Overall, the MECP exhibited a significant antidepressant activity with moderate toxicity, which required further advance studies to identify the mechanism. spa
dc.description.sponsorship Centro de Investigación y Publicación (CRP) | Ref. IRG 180111 spa
dc.description.sponsorship Universidad Islámica Internacional de Chittagong (IIUC) spa
dc.language.iso eng en
dc.publisher Pharmaceuticals spa
dc.rights Attribution 4.0 International
dc.rights.uri http://creativecommons.org/licenses/by/4.0
dc.title Biological evaluation, DFT calculations and molecular docking studies on the antidepressant and cytotoxicity activities of Cycas pectinata buch.-ham. compounds en
dc.type article spa
dc.rights.accessRights openAccess spa
dc.identifier.doi 10.3390/ph13090232
dc.identifier.editor https://www.mdpi.com/1424-8247/13/9/232 spa
dc.publisher.departamento Química analítica e alimentaria spa
dc.publisher.grupoinvestigacion Investigacións Agrarias e Alimentarias spa
dc.subject.unesco 3208.02 Acción de Los Medicamentos spa
dc.subject.unesco 3209.03 Evaluación de Medicamentos spa
dc.subject.unesco 3209.07 Fitofármacos spa
dc.date.updated 2021-02-15T10:35:27Z


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