In-silico HMG-CoA reductase-inhibitory and in-vivo anti-lipidaemic/anticancer effects of carotenoids from Spondias mombin

J Pharm Pharmacol. 2021 Sep 7;73(10):1377-1386. doi: 10.1093/jpp/rgab103.

Abstract

Objectives: Inhibition of HMG-CoA (3-hydroxy-3-methylglutaryl coenzyme A) reductase, the rate rate-determining enzyme for the biogenesis of cholesterol is known to show antineoplastic effects. Therefore, this study investigates the in-silico HMG-CoA reductase (HMGCR)-inhibitory and in-vivo anti-lipidaemic/anticancer effects of carotenoids from Spondias mombin.

Methods: Carotenoids from S. mombin leaves were characterized with the aid of liquid chromatography-electrospray ionization-mass spectrometry (LC-ESI-MS). The characterized phytochemicals were obtained from PubChem. They were docked into the orthosteric site of human HMGCR (Protein Data Bank code 1HW8) using AutoDock 4.0 suites. DMBA (7,12-dimethylbenz[a]anthracene) model of breast cancer was treated with the carotenoids extract from S. mombin (100 mg/kg and 200 mg/kg doses) to assess its anti-lipidaemic cum anticancer effects.

Key findings: Carotenoids from S. mombin; beta-carotene-15,15'-epoxide, astaxanthin and 7,7',8,8'-tetrahydro-β-β-carotene demonstrate HMGCR inhibition. They form hydrophobic interactions with key residues within the catalytic domain of HMGCR. The carotenoids extract exhibits anti-lipidaemic/anticancer effects, lowering serum triglyceride, LDL and cholesterol concentration. It increases HDL concentration and downregulates the expression of HMGR, AFP, CEACAM-3, BRCA-1 and HIF-1 mRNAs.

Conclusion: Carotenoids from S. mombin demonstrate HMG-CoA reductase (HMGCR) inhibition, anti-lipidaemic, and anticancer effects. The inhibition of HMGCR by the carotenoids extract further poses it as a potential anti-hypercholesterolaemia compounds.

Keywords: HMG-CoA reductase; breast cancer; lipid profiles; liquid chromatography–electrospray ionization–mass spectrometry (LC-ESI-MS).

MeSH terms

  • Acyl Coenzyme A / metabolism
  • Anacardiaceae / chemistry*
  • Animals
  • Anticholesteremic Agents / analysis
  • Anticholesteremic Agents / pharmacology
  • Antineoplastic Agents, Phytogenic / analysis
  • Antineoplastic Agents, Phytogenic / pharmacology*
  • Antineoplastic Agents, Phytogenic / therapeutic use
  • Breast / drug effects
  • Breast / metabolism
  • Breast Neoplasms / chemically induced
  • Breast Neoplasms / drug therapy
  • Breast Neoplasms / metabolism*
  • Carotenoids / analysis
  • Carotenoids / pharmacology*
  • Down-Regulation
  • Female
  • Humans
  • Hydroxymethylglutaryl CoA Reductases / metabolism*
  • Hydroxymethylglutaryl-CoA Reductase Inhibitors / pharmacology*
  • Hypercholesterolemia / blood
  • Hypercholesterolemia / drug therapy
  • Hypercholesterolemia / metabolism
  • Hyperlipidemias / blood
  • Hyperlipidemias / drug therapy
  • Hyperlipidemias / metabolism
  • Hypolipidemic Agents / analysis
  • Hypolipidemic Agents / pharmacology*
  • Hypolipidemic Agents / therapeutic use
  • Lipids / blood
  • Molecular Docking Simulation
  • Phytotherapy
  • Plant Extracts / chemistry
  • Plant Extracts / pharmacology
  • Rats
  • Rats, Wistar
  • Xanthophylls / analysis
  • Xanthophylls / pharmacology
  • beta Carotene / analysis
  • beta Carotene / pharmacology

Substances

  • Acyl Coenzyme A
  • Anticholesteremic Agents
  • Antineoplastic Agents, Phytogenic
  • Hydroxymethylglutaryl-CoA Reductase Inhibitors
  • Hypolipidemic Agents
  • Lipids
  • Plant Extracts
  • Xanthophylls
  • beta Carotene
  • 3-hydroxy-3-methylglutaryl-coenzyme A
  • Carotenoids
  • astaxanthine
  • HMGCR protein, human
  • Hydroxymethylglutaryl CoA Reductases