Objective: This study aims to analyze the methyl hesperidin physicochemical properties related to solubility and permeability, and the affinity of
methyl hesperidin against reverse transcriptase HIV-1 activity as a competitive substrate.
Methods: This research was conducted using the computerized method, ChemOffice 15.0, to predict ligand physicochemical properties related to
solubility and permeability, and Autodock Vina with Autodock Tools program to analyze ligand-receptor affinity.
Results: The analysis result of physicochemical properties of hesperidin and methyl hesperidin is respectively 300,27 g/Mol, 1,78, and 314,29
g/Mol, 2,04. The docking result shows that the binding energy of hesperidin, methyl hesperidin and zidovudine with receptor are respectively-8,0,8,8
and-9,3
kcal/Mol.
The
type
of
interactions
between
receptor
and
hesperidin
is
van
der
Waals
and
phi-phi
staked,
methyl
hesperidin
are
van
der

Waals,
hydrogen
bond,
phi-sigma,
and
phi-phi
stacked,
and
zidovudine
is
an
attractive
charge,
hydrogen
bond,
and
phi-sigma.


Conclusion: Methyl hesperidin has good solubility and permeability, and has affinity with the receptor, a substrate of reverse transcriptase HIV-1.
Keywords; Methyl hesperidin, nucleoside reverse transcriptase inhibitor, Autodock Vina