Computational Insight into Anti-Obesity Effects of Combined Some Phytobiotics to GLP1R (Glucagon-Like Peptide 1 Receptor) Protein inAnas javanica

Abstract

ABSTRACTDamayanti CA, Harahap MAY, Wibowo S, Sjofjan O, Djunaidi IH. 2023. Computational Insight into Anti-Obesity Effects of Indonesian Phytobiotics to GLP1R (Glucagon-Like Peptide 1 Receptor) Protein inAnas javanica.Mojosari ducks (Anas javanica) is native Indonesia laying ducks was a egg producing type with quite high egg production, must be maintain body weight to propotional condition as laying duck. If the body weight surpasses normal, it can lead to obesity and reduce the eggs quality. One of the proteins closely related to obesity and hyperglycemia is GLP1R (Glucagon-Like Peptide 1 Receptor). The increase in GLP1R activity by one of the compounds that have been widely researched is loureirin B. Interaction between loureirin B and GLP1R increases insulin production in the body so that hyperglycemia and body weight can be controlled properly. Exploration of phytobiotic compounds from Indonesia is needed to find the substitution of loureirin B as an anti-obesity agent. According to the findings of in silico study (protein modeling and molecular docking), cynaroside (−9.2 kcal/mol), 14-Deoxy-11,12-didehydroandrographolide (−9.1 kcal/mol), rutin (−8.8 kcal/mol), andrographidine E (−8.6 kcal/mol), and cianidanol (−7.8 kcal/mol) had stronger binding affinity than loureirin B (−7.4 kcal/mol). Andrographidine E, derived from the plantAndrographis paniculata, is the best candidate for GLP1R agonist. The binding affinity that Andrographidine E has is lower than control compounds, so it is easier for bonds to occur between proteins and such compounds. In addition, the interacting amino acids do not have unfavourable bonds that make it more stable than other candidates. Results from clinical studies show that the use ofA. paniculatacan reduce glucose levels.