In Silico Study on the Effect of Heliannuol A, B, C, D, E Compounds of Sunflower (Helianthus annuus L.) on Dual PI3K/mTOR (5OQ4) Enzyme

Heliannuol is a sesquiterpene that has benzoxepine ring, oxepin. Many derivatives of compounds show anticancer activity by inhibiting the phosphoinositide 3-kinase (PI3K) enzyme. These enzymes play role in cell proliferation and growth. The study aims to predict physicochemical properties using Lipinski’s Rule Five parameters on 3- kinase (PI3K/Mtor; PDB 5OQ4) enzyme toxicity A, B, C, D, E compounds. process uses pkCSM online tool. validation receptor 5OQ4 done value parameter RMSD < 2 (Å). Protox tool dan employed LD50, skin sensitization, Ames toxicity, hepatotoxicity, class. interaction ligan tested Molegro Virtual Docker 6.0. Heliannoul fulfill Five. known valid 0,923 inhibit Dual PI3K / mTOR less than Bimiralisib. As result test Helliannouls E, Bimiralisib are included class 4, while D 5.