TY - JOUR ID - 89707 TI - Molecular Docking Compounds of Cinnamaldehyde Derivatives as Anticancer Agents JO - Asian Pacific Journal of Cancer Prevention JA - APJCP LA - en SN - 1513-7368 AU - Warsito, Warsito AU - Murlistyarini, Shinta AU - Suratmo, Suratmo AU - Azzahra, Vina O AU - Sucahyo, Andrian AD - Faculty of Mathematic and Natural Sciences, Essential Oil Institute, Brawijaya University, Malang, Indonesia. AD - Laboratory of Biomedic, Faculty of Medicine, Brawijaya University, Malang, Indonesia. Y1 - 2021 PY - 2021 VL - 22 IS - 8 SP - 2409 EP - 2419 KW - Anticancer KW - cinnamaldehyde KW - hydroxy cinnamaldehyde KW - methoxy cinnamaldehydes KW - Molecular docking DO - 10.31557/APJCP.2021.22.8.2409 N2 - Objective: Cinnamaldehyde (CM) has a molecular structure with the main reaction center of an aromatic ring which the bioactivity can be modified as an anticancer agent by substituting the groups in the ortho (o), meta (m), and para (p) position. The present study aimed to investigate the correlation of the cluster region that was substituted in CM on its activity for various anticancer receptors. Methods: The receptor types used in the test were 5FL6, 1HOV, 4GY7, 5EAM, 4XCU, 4EL9, and 4PQW. The suitability of the hydroxy (OH) and methoxy (OMe) groups, which were substituted, was studied based on the value of Ki, their interactions with metal cofactors, and the type of amino acid residues that function as cancer receptor inhibitors. The docking was conducted using AutoDock 4. Results: The study results showed that all derivative compounds (o, m, and p) –OH and –OMe CM commonly had better anticancer activities than CM. o-OH CM has the best activity against receptors 5FL6, 1HOV, 4GY7, 5EAM, and 4XCU, and m-OMe CM has better activity against the 4EL9 receptors when compared with other CM derivatives. Conclusion: Based on this study, the compound derived from CM, i.e. OHC, tends to show the best anticancer activity.   UR - https://journal.waocp.org/article_89707.html L1 - https://journal.waocp.org/article_89707_5973f23455fc7bdf1dc4870139b9c253.pdf ER -