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

Jinnat Rahman, Abu Montakim Tareq, Md. Mohotasin Hossain, Shahenur Alam Sakib, Mohammad Nazmul Islam, Md. Hazrat Ali, A. B. M. Neshar Uddin, Muminul Hoque, Mst. Samima Nasrin, Talha Bin Emran, Raffaele Capasso, A. S. M. Ali Reza (+1 others)
2020 Pharmaceuticals  

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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)
more » ... els. 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.
doi:10.3390/ph13090232 pmid:32899148 pmcid:PMC7557754 fatcat:x2medrkqwfhsbisiz3afmcstky
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Jinnat Rahman, Abu Montakim Tareq, Md. Mohotasin Hossain, Shahenur Alam Sakib, Mohammad Nazmul Islam, Md. Hazrat Ali, A. B. M. Neshar Uddin, Muminul Hoque, Mst. Samima Nasrin, Talha Bin Emran, Raffaele Capasso, A. S. M. Ali Reza, Jesus Simal-Gandara. "Biological Evaluation, DFT Calculations and Molecular Docking Studies on the Antidepressant and Cytotoxicity Activities of Cycas pectinata Buch.-Ham. Compounds." Pharmaceuticals 13.9 (2020) 232