TY  - THES
N1  - Pembimbing: Priyagung Dhemi Widiakongko, M.S.
ID  - digilib61501
UR  - https://digilib.uin-suka.ac.id/id/eprint/61501/
A1  - Hilda Robihatin Husen, NIM.: 19106030007
Y1  - 2023/07/25/
N2  - The study of the Molecular Method of Dynamics (MD) on 5 Naringenin derivative compounds and their derivatives has been carried out. This research aims to determine the types of hydrogen bonds involved and the strength dynamics of each unit time between the naringenine-derived compound and the macromolecule of the enzyme tyrosinase in order to form a stable hydrogen bond. This research was conducted using data on the antioxidant activity of the Naringenin compound and its derivatives from experimental results (in vitro). Test ligand tethering results and receptors. The best conformation of the results of molecular tethering results is then confirmed its stability by simulating molecular dynamics using Yasara software 22.9.24. Based on the results of molecular tethering, the compound (E)-5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzilidine)-2-(4-hydroxyphenyl) chroman-4-on has the best affinity, which is with a bond-free energy value of -6.16 Then the compound has good interaction stability based on RMSD and H-Bond graphs. Thus, the compound (E)-5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzilidine)-2-(4-hydroxyphenyl) croman-4-one is predicted to be used as a candidate competitive inhibitor and non-competitive tyrosinase enzyme
PB  - UIN SUNAN KALIJAGA YOGYAKARTA
KW  - Naringenin
KW  -  Enzim Tirosinase
KW  -  Simulasi Dinamika Molekuler
KW  -  Aktivitas Inhibitor
M1  - skripsi
TI  - SIMULASI DINAMIKA MOLEKULER  SENYAWA TURUNAN NARINGENIN SEBAGAI INHIBITOR ENZIM TIROSINASE
AV  - restricted
EP  - 71
ER  -