Interactions of black pepper (Piper nigrum l.) chemical constituents against 5-ht1ʙ receptor as antidepressant by in silico

Depression is an illness that affects how to feel, think, and act. Depression causes feelings of sadness and/or loss of interest in an activity. Depression can be treated by using antidepressants. Piper nigrum L. or Black Pepper is a plant that can be used as an antidepressant. Black pepper contains secondary metabolite which can be used as an antidepressant with a mechanism against 5-HT1ʙ. The purpose of the research is to study the interaction between compounds contained in black pepper which have a potential as an antidepressant to 5-HT1ʙ receptor using the in silico molecular docking method. The test was carried out using the software Autodock 4.2 for molecular docking simulation, visualized using the Biovia Discovery Studio 2020 Client, and analysis of the pharmacokinetic results and toxicity of the compounds through the pre-ADMET site. As the results, piperettin had the greatest potential as a candidate for antidepressant drugs via the 5-HT1ʙ agonist mechanism with binding energy values -8,84 kcal/mol with hydrogen bonds occuring at the amino acid residue of THR134. Based on the analysis of the predicted results, Piperettin has pharmacokinetic properties with a CaCo-2 value of 54.6793; HIA 98.050270%; PPB 92.408768%. The results of pre-ADMET compounds showed a suspected potential carcinogen.