Docking of andrographolide compounds as anti-inflammatory drug candidates

Abstract

Inflammation is the immune system's response to noxious stimuli and acts to eliminate harmful stimuli to the body through healing. The occurrence of inflammation is characterized by swelling, redness, loss of tissue function, heat, and pain. This study aims to tether andrographolide compounds as anti-inflammatory candidates, through the docking method. The results show that the binding energy value obtained by the test compound (andragrofolid) is smaller than the comparison compound (Profen's mother), namely the Andrographolide value of -10.76 while the binding value of Profen's mother is
-7.06, so it can be interpreted that the andragrofolid compound is more stable. andragrofolid binds to 3 hydrogens, namely TYR 385. PHE 518, and SER 530 while for the comparison compound (ibu profen) it binds to 3 hydrogens, namely LEU 352, GLN 192, and PHE 518. The results of pharmacokinetic analysis of andrographolide have a high compound permeability value because it produces predictive value >0.90. For the HIA value, androgrofolid compounds have a good percentage of absorption in the human intestine or HIA because it is more than 30%