TY - JOUR AU - Nur Qamarina Hazian, AU - Nur Ainun Mokhtar , AU - Nurulbahiyah Ahmad Khairudin, AU - Ragheed Hussam Yousif, PY - 2023/03/23 Y2 - 2024/03/29 TI - In Silico Molecular Docking Simulation of Chromolaena Odorata Phytoconstituents Against Matrix Metalloproteinase Proteins – 9 (MMP-9) JF - Journal of Research in Nanoscience and Nanotechnology JA - JRNN VL - 7 IS - 1 SE - Research papers DO - 10.37934/jrnn.7.1.16 UR - https://www.akademiabaru.com/submit/index.php/jrnn/article/view/4697 SP - 1-6 AB - <div><span lang="EN-GB">The purpose of this study is to investigate the potential ligands of <em>Chromolaena Odorata</em> plants which contributes to the wound healing process. The ligands involved were phytol, ß-Caryophyllene, and 3,3-Dimethyl-1,2,4-cyclopentanetrione. This work addressed molecular docking simulations between the chosen ligands and Matrix Metalloproteinases (MMP) as the primary viral protein/receptor. The binding modes of the protein-ligand interactions were analysed. 9 poses of docking modes were obtained from the simulation. The ligand-receptor with the lowest interaction energy is the potential candidate for wound healing treatment. In summary, </span>3,3-Dimethyl-1,2,4-cyclopentanetrionehas been chosen to be the best docked complexes as it shows the lowest energy among the other ligands with value of -7.1 kcal/mol.</div> ER -