Antipyretic activity of Caesalpinia digyna (Rottl.) leaves extract along with phytoconstituent’s binding affinity to COX-1, COX-2, and mPGES-1 receptors: In vivo and in silico approaches

Abstract

<i>Caesalpinia digyna</i> (Rottl.) (Family: Fabaceae) is well known for its numerous medicinal values against several human disorders including fever, senile pruritis, diarrhea, tuberculosis, tonic disorder, diabetes, etc. The current study is intended to investigate the <i>in vivo</i> antipyretic activity of the methanol extract of <i>C. digyna</i> leaves (MECD) and its carbon-tetrachloride (CTCD) and butanol fraction (BTCD). Besides, <i>in silico</i> molecular docking and ADME/T profiling of the selective identified bioactive compounds of <i>C. digyna</i> has been also studied to validate the experimental outcomes and establish a better insight into the possible receptor-ligand interaction affinity. <i>In vivo</i> antipyretic activity of MECD, CTCD and BTCD were evaluated by employing yeast induced pyrexia technique in mice model and <i>in silico</i> analysis of the identified compounds of <i>C. digyna</i> has been implemented using PyRx autodock vina, Discovery Studio 2020, UCSF Chimera software and ADME/T online tools. MECD and BTCD unveiled significant antipyretic activity in dose dependent manner whereas, CTCD failed to exhibit significant antipyretic activity. Comparing to other test sample, MECD (400 mg/kg; b.w) (<i>p</i> < 0.001) displayed maximum inhibition of pyrexia. In molecular docking approach, docking score between -6.60 to -10.20 kcal/mol have been revealed. Besides, in ADME/T analysis, no compound violated the lipiniski's 5 rules and displayed any toxicity. Biological and computational approaches ascertain the ethno-botanical use of <i>C. digyna</i> as a good agent against pyrexia and the compounds of <i>C. digyna</i> are primarily proved as safe. Hereafter, further analysis is suggested to validate this research.