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A study to incorporate  in silico  modeling with an empirical experiment has been carried out to formulate nanoliposome containing 4- n -butylresorcinol as the active ingredient. The  in silico  modeling was performed using molecular dynamics simulation followed by radius of gyration observation to provide insight into the mechanisms of 4- n -butylresorcinol stabilization by liposome due to their nano-size. The empirical experiment was conducted by formulating the nanoliposome using soy lecithin phospholipid formula as suggested by the  in silico  modeling followed by determining its particle size as well as its shape. From their incorporation, it was found that 3200 phospholipid molecules were selected in formulating nanoliposome containing 4- n -butylresorcinol. The results of the nanoliposomes size observation in the modeling of 3200 lipid molecules was 87.01 (± 0.59) nm, whereas the size from the empirical study was 87.57 (± 0.06) nm. Communicated by Ramaswamy H. Sarma

In silico modeling and empirical study of 4- n -Butylresorcinol nanoliposome formulation