In Silico Screening Inhibitors Histamine H2 Chemical Compounds in Licorice Plants (Glycyrrhiza glabra L.) Using Autodock Vina

Abstract

The inquiry about on in silico screening of chemical compounds of Histamine H₂ of Liquorice (Glycyrrhiza glabra L.), aimed to get the potential bioactive compounds found in plants The Liquorice (Glycyrrhiza glabra L.) as a potential inhibitor Histamine H₂ with a screening in silico by Autodock Vina Docking process is carried out on enzyme Histamine H₂ as receptors and 105 chemical compounds in plants Liquorice (Glycyrrhiza glabra L.) as ligands using Autodock Vina program. ∆G_bind value and lowest RMSD of each compound that has been in the docking taken the value of the free energy change (∆G) as a result of docking. Docking results showed that of the 105 chemical compounds of plant Liquorice (Glycyrrhiza glabra L.)  are all potential as inhibitors Histamine H₂  with free energy change (∆G) most low at Glabrene amounted to -9.6 kcal/mol, and the highest Isotachioside amounted to -4.5 kcal/mol.