New imidazole derivatives as aromatase inhibitor: Design, synthesis, biological activity, molecular docking, and computational ADME-Tox studies

New 1,2,3-triazole/1,2,4-triazole hybrids linked to oxime moiety as nitric oxide donor selective COX-2, aromatase, B-RAF V600E and EGFR inhibitors celecoxib analogs: design, synthesis, anti-inflammatory/anti-proliferative activities, apoptosis and molecular modeling study

“…Molecular docking studies are used to predict protein-ligand interactions with different enzymes at the atomic level 79 . In this study, molecular docking studies of 1,2,3 triazole derivatives are docked with different enzymes downloaded from protein data bank (PDB) such as COX-2 enzyme (PDB, ID: 3LN1) 80 , EGFR enzyme (PDB ID: 1M17) 81 , aromatase enzyme (PDB, ID: 3EQM) 5 and B-RAF V600E enzyme (PDB ID: 1UWJ) 81 .…”

“…Nonsteroidal aromatase inhibitors have two primary elements in their structure, azole part containing nitrogen atom that interacts with heme-iron atom of aromatase, while the bulky aryl part resembles the substrate’s steroid ring 10 . These triazole derivatives are very potent, specific and selective aromatase inhibitors that allow almost complete oestrogen suppression 11 , 12 . However, unwanted severe side effects due to complete inhibition of oestrogen synthesis by their prolonged use like increased risk of heart disease and osteoporosis restrict their domain of clinical application 13 , leading to continue exploration of new strategies for treatment.…”

New benzimidazole‐oxadiazole derivatives: Synthesis, α‐glucosidase, α‐amylase activity, and molecular modeling studies as potential antidiabetic agents

“…The MTT method was performed as previously described. [ 55 ] L929 healthy mouse fibroblast cells were used to evaluate the cytotoxicity of the compounds.…”

Aromatase Inhibitors as a Promising Direction for the Search for New Anticancer Drugs

“…Imidazole derivatives turned out to be highly selective, showing a lower cytotoxic effect on normal cells than on cancer cells. The compounds were also tested against the aromatase enzyme, in which it was shown that they have lower inhibitory effects on this protein compared to the reference drug letrozole, with an IC 50 in the range of 5.42–8.79 µM [ 2 ].…”

“…Aromatase cytochrome P450 is the only enzyme found in vertebrates that catalyzes the biosynthesis of all estrogens from androgens. Estrogen plays an important role in stimulating the proliferation of cancer cells in patients with estrogen-receptor-positive breast cancer [ 2 ]. Therefore, aromatase inhibitors are the first-line therapy for estrogen-dependent breast cancer [ 3 ].…”