Molecular docking, antiproliferative and anticonvulsant activities of swertiamarin isolated from Enicostemma axillare

Bioorg Chem. 2020 Jan:94:103428. doi: 10.1016/j.bioorg.2019.103428. Epub 2019 Nov 8.

Abstract

Present study aimed for molecular docking, antiproliferative and anticonvulsant activities of swertiamarin isolated from the successive methanol extract of Enicostemma axillare. Molecular docking of swertiamarin on telomerase targets (PDB ID: 5UGW, 3DU6 and 4ERD), followed by antiproliferative activity on HEp2 and HT-29 cells by MTT and SRB assays. Also tested for anticonvulsant activity by pentylenetetrazole (PTZ, 80 mg/kg bw) induced convulsant. Molecular docking study predicted good total score of the swertiamarin with the selected targets. Swertiamarin possesses antiproliferative activity on HEp-2 and HT-29 cells with lower CTC50 values. It also served as significant anticonvulsant agent with prolonged onset and reduced duration of the seizures. These results confirm that swertiamarin exhibited potential antiproliferative and anticonvulsant activities.

Keywords: Anticonvulsant activity; Cytotoxicity; Molecular docking; Swertiamarin.

MeSH terms

  • Animals
  • Anticonvulsants / chemistry
  • Anticonvulsants / isolation & purification
  • Anticonvulsants / pharmacology*
  • Cell Proliferation / drug effects
  • Dose-Response Relationship, Drug
  • Female
  • Gentianaceae / chemistry*
  • Humans
  • Iridoid Glucosides / chemistry
  • Iridoid Glucosides / isolation & purification
  • Iridoid Glucosides / pharmacology*
  • Male
  • Mice
  • Molecular Docking Simulation*
  • Molecular Structure
  • Pyrones / chemistry
  • Pyrones / isolation & purification
  • Pyrones / pharmacology*
  • Seizures / drug therapy*
  • Structure-Activity Relationship
  • Tumor Cells, Cultured

Substances

  • Anticonvulsants
  • Iridoid Glucosides
  • Pyrones
  • swertiamarin