In Vitro and in Silico Analysis of Antilipase, Antioxidant, and Optimization of Granule Effervescent from Peronema canescens Jack

Abstract

Obesity results from prolonged energy imbalance, with anti-obesity treatment targeting pancreatic
lipase inhibition. Peronema canescens Jack. (PC) known as Sungkai, has traditionally been used
to treat various ailments. This study aimed to assess PC antioxidant and antilipase activities and
optimize effervescent granule formulations. Phytochemical screening and thin-layer
chromatography (TLC) were performed, followed by antioxidant analysis using 2,2-diphenyl-1picrylhydazyl

(DPPH) and pancreatic antilipase activity, using the p-NPB substrate, were
employed. The ethanol fraction of PC demonstrated potent antioxidant activity (IC
50
= 47.27
g/mL), while the insoluble fraction showed the highest pancreatic antilipase activity (67.65%).
Gas chromatography-mass spectrometry (GC-MS) identified active compounds, including
dimethyl tetracycline, 2-methoxy-5H-indolo[2,3-b] quinoxaline, and trilaurin, with molecular
docking study indicating dimethyl tetracycline was the most effective antilipase candidate,
binding to the pancreatic receptor (PDB ID: 1LPB). This compound also met Lipinski’s Rule of
Five and ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity), suggesting
favorable pharmacokinetics and safety. Evaluation of effervescent granules included angle of
repose, bulk density, and tapped density. Optimization of tartaric and citric acid concentration
using Design Expert 13 yielding two optimal formulas: Formula 1 with 13.16% tartaric acid and
0.84% citric acid, and Formula 2 with 13.21% tartaric acid and 0.80% citric acid. PC leaves have
the potential to be an antioxidant and anti-obesity and can be developed into effervescent formula.

Keywords: Peronema Canescens Jack., Antioxidant, Effervescent granules, Molecular docking,
Pancreatic antilipase.