Search Results - "Hokmabady, Leila"

In silico elucidation of the interactions of thymoquinone analogues with phosphatase and tensin homolog (PTEN) by Hokmabady, Leila, Fani, Najmeh

“…Thymoquinone, as one of the main constituents of black seed, has impressive medicinal properties. In the present study, the interaction of this compound and…”
Get full text

Comprehensive molecular docking and molecular dynamics simulation study of unmodified and modified cyclodextrins: erlotinib inclusion complexes by Gholampour, Farhad, Hokmabady, Leila, Ravari, Fatemeh

Get full text

Host-guest interactions of Crizotinib with natural and modified cyclodextrins: a combined molecular docking and molecular dynamics simulation approaches by Mohebbi, Elham, Hokmabady, Leila, Ravari, Fatemeh

“…In this work, molecular docking and molecular dynamics (MD) simulation were applied to investigate the ability of natural cyclodextrins (CDs; Alpha, Beta and…”
Get full text

Interactions of the 5-fluorouracil anticancer drug with DNA pyrimidine bases: a detailed computational approach by Hokmabady, Leila, Raissi, Heidar, Khanmohammadi, Azadeh

“…The H-bonded complexes formed from interaction between 5-fluorouracil (FU) and DNA pyrimidine bases have been investigated by B3LYP method using 6-311++G**…”
Get full text