منابع مشابه
Molecular Docking of Aromatase Inhibitors
Aromatase is an enzyme that plays a critical role in the development of estrogen receptor positive breast cancer. As aromatase catalyzes the aromatization of androstenedione to estrone, a naturally occurring estrogen, it is a promising drug target for therapeutic management. The undesirable effects found in aromatase inhibitors (AIs) that are in clinical use necessitate the discovery of novel A...
متن کاملThe comparison of the effect of different inhibitors on aromatase enzyme effective in the breast cancer by molecular docking method
Background: Aromatase is an enzyme that plays an important role in the development of estrogen-positive breast cancer. Estrogens are essential in human and mainly in women because of their role in sexual development and reproduction. Adverse effects of some aromatase inhibitors increase the need to discover new inhibitors with higher selectivity, lower toxicity and improved potency. In this stu...
متن کاملbinding mode of triazole derivatives as aromatase inhibitors based on docking, protein ligand interaction fingerprinting, and molecular dynamics simulation studies
aromatase inhibitors (ais) as effective candidates have been used in the treatment of hormone-dependent breast cancer. in this study, we have proposed 300 structures as potential ais and filtered them by lipinski’s rule of five using druglito software. subsequently, they were subjected to docking simulation studies to select the top 20 compounds based on their gibbs free energy changes and also...
متن کاملMolecular docking based screening of Noggin inhibitors
Noggin (NOG) a BMP (bone morphogenetic protein) antagonist plays a key role in preferentially driving a subset of breast cancer cells towards the bone and causing osteolytic lesions leading to severe pain and discomfort in the patients. Owing to its role in bone metastasis, NOG could be promising molecular target in bone metastasis and that identifying small molecule inhibitors could aid in the...
متن کاملMolecular docking of competitive phosphodiesterase inhibitors.
Mammalian phosphodiesterases types 3 and 4 (PDE3 and PDE4) hydrolyze cAMP and are essential for the regulation of this intracellular second messenger. These enzymes share structural and biochemical similarities, but each can be distinguished by its sensitivity to isoenzyme-specific, substrate-competitive inhibitors. We present a model configuration for the PDE4 substrate (cAMP) and a PDE4-speci...
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ژورنال
عنوان ژورنال: Molecules
سال: 2011
ISSN: 1420-3049
DOI: 10.3390/molecules16053597