Biological Evaluation, DFT Calculations and Molecular Docking Studies on the Antidepressant and Cytotoxicity Activities of Cycas pectinata Buch.-Ham. Compounds

Pharmaceuticals

Raffaele Capasso¹  TalhaBin Emran²  AbuMontakim Tareq³  MohammadNazmul Islam³  Md.Hazrat Ali³  A.B. M. Neshar Uddin³  Muminul Hoque³  Jinnat Rahman³  A.S. M. Ali Reza³  Md.Mohotasin Hossain³  Mst.Samima Nasrin³  ShahenurAlam Sakib⁴  Jesus Simal-Gandara⁵ 

[1] Department of Agricultural Sciences, University of Naples Federico II, 80055 Portici, Italy;Department of Pharmacy, BGC Trust University Bangladesh, Chittagong 4381, Bangladesh;Department of Pharmacy, International Islamic University Chittagong, Kumira, Chittagong 4318, Bangladesh;Department of Theoretical and Computational Chemistry, University of Dhaka, Dhaka 1000, Bangladesh;Nutrition and Bromatology Group, Department of Analytical and Food Chemistry, Faculty of Food Science and Technology, University of Vigo—Ourense Campus, E32004 Ourense, Spain;

关键词: Cycas pectinata;    MAO;    serotonin;    antidepressant;    cytotoxicity;    oximes;   

DOI  :  10.3390/ph13090232

来源: DOAJ

【 摘 要 】

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.

【 授权许可】

Unknown