Efek Esterifikasi Gugus -OH Senyawa 2,6-Bis (4-Hidroksi-3-Metoksi-Benzilidin) Sikloheksanon dan 2,6-Bis (4-Hidroksi-3,5-Dimetil-Benzilidin) Sikloheksanon Terhadap Inhibisi Protein Tubulin Homolog pada Antikanker dengan Molecular Docking PyRx

• Main Authors: Priyatama, Dedy (Author), , Dr. Muhammad Da'i, M.Si., Apt (Author)
• Format: Book
• Published: 2016.
• Subjects: Thesis; NonPeerReviewed
• Online Access: Connect to this object online
• Notes: https://eprints.ums.ac.id/48772/1/Naskah%20Publikasi.pdf; https://eprints.ums.ac.id/48772/2/Halaman%20Depan.pdf; https://eprints.ums.ac.id/48772/3/BAB%20I.pdf; https://eprints.ums.ac.id/48772/5/BAB%20II.pdf; https://eprints.ums.ac.id/48772/6/BAB%20III.pdf; https://eprints.ums.ac.id/48772/7/BAB%20IV.pdf; https://eprints.ums.ac.id/48772/8/Daftar%20Pustaka.pdf; https://eprints.ums.ac.id/48772/10/Lampiran.pdf; https://eprints.ums.ac.id/48772/11/Pernyataan%20Publikasi%20Iliah.pdf
• Keywords: RS Pharmacy and materia medica

2,6-bis (4-hydroxy-3-methoxy-benzilidin) cyclohexanone and 2,6-bis (4-hydroxy-3,5-dimethyl-benzilidin) cyclohexanone are included in curcumin derivatives which has the potential for inhibition of tubulin proteins that play a role in cell fission. However, both of these compounds have a polarity that bad. Esterification of the -OH group on 2,6-bis (4-hydroxy-3-methoxy-benzilidin) cyclohexanone and 2,6-bis (4-hydroxy-3,5-dimethyl-benzilidin) cyclohexanone aims to increase the activity of the tubulin protein inhibition and polarity. The experiments were performed using a molecular docking software PyRx Vina-Autodock, the results of molecular docking were analyzed using PLIP and visualized with PyMOL. Homologous protein is used because it has a 93.44% similarity with the protein tubulin and have the X-ray is 2.2 Å. The compound of 2,6-bis (4-asetiloksi-3,5-dimethyl-benzilidin) cyclohexanone from esterification results has better polarity than the original compound. Through molecular docking was shown the compound has the highest activity of the tubulin protein inhibition. The results of PLIP and PyMOL showed that the residue GLN36 and ARG379 is the receptor that appears most frequently in the ligand-protein interactions.