Design, synthesis, and molecular modeling studies of a novel benzimidazole as an aromatase inhibitor

UA Çevik, I Celik, J Mella, M Mellado, Y Özkay… - ACS …, 2022 - ACS Publications
In this study, a series of novel 1, 3, 4-oxadiazole-benzimidazole derivatives were designed
and synthesized. Their cytotoxic activities against five cancer cell lines, including A549, MCF …

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

G Çetiner, UA Çevik, I Celik, HE Bostancı… - Journal of Molecular …, 2023 - Elsevier
In this study, a series of imidazole derivatives was designed, synthesized, and evaluated for
in vitro biological activity on the human breast cancer cell line MCF7 by MTT assay. To …

Design, synthesis, molecular modeling, DFT, ADME and biological evaluation studies of some new 1, 3, 4-oxadiazole linked benzimidazoles as anticancer agents and …

U Acar Çevik, I Celik, A Işık, I Ahmad… - Journal of …, 2023 - Taylor & Francis
Breast cancer is the most frequent female cancer and second cause of cancer-related
deaths among women around the world. Two thirds of breast cancer patients have hormone …

Design, synthesis and biological evaluation of imidazole and triazole-based carbamates as novel aromatase inhibitors

A Ammazzalorso, M Gallorini, M Fantacuzzi… - European Journal of …, 2021 - Elsevier
In the search for novel aromatase inhibitors, a series of triazole and imidazole-based
carbamate derivatives were designed and synthesized. Final compounds were thus …

Synthesis, characterization, biological evaluation and in silico studies of novel 1, 3, 4-thiadiazole derivatives as aromatase inhibitors

S Demiraran, D Osmaniye, Y Özkay… - Journal of Molecular …, 2024 - Elsevier
In this study, some new thiosemicarbazide and their corresponding 1, 3, 4-thiadiazole
derivatives containing pyridine nuclei were synthesized. Their structures were established …

Sulfonanilide derivatives in identifying novel aromatase inhibitors by applying docking, virtual screening, and MD simulations studies

S Rampogu, M Son, C Park, HH Kim… - BioMed Research …, 2017 - Wiley Online Library
Breast cancer is one of the leading causes of death noticed in women across the world. Of
late the most successful treatments rendered are the use of aromatase inhibitors (AIs). In the …

Molecular Modeling Evaluation of Non‐Steroidal Aromatase Inhibitors

BL Narayana, D Pran Kishore… - Chemical Biology & …, 2012 - Wiley Online Library
A recent discovery of aromatase crystal structure triggered the efforts to design novel
aromatase inhibitors for breast cancer therapy. While correlating docking scores with …

Potent aromatase inhibitors and molecular mechanism of inhibitory action

H Kang, X Xiao, C Huang, Y Yuan, D Tang… - European journal of …, 2018 - Elsevier
Estrogen is a significant factor in the maintenance and progression of hormone-dependent
breast cancer. As well known, aromatase mediates the production of estrogen. Thus …

Synthesis, investigation of biological effects and in silico studies of new benzimidazole derivatives as aromatase inhibitors

BN Sağlık, AM Şen, AE Evren, UA Çevik… - … für Naturforschung C, 2020 - degruyter.com
Inhibition of aromatase enzymes is very important in the prevention of estrogen-related
diseases and the regulation of estrogen levels. Aromatase enzyme is involved in the final …

Design of novel potential aromatase inhibitors via hybrid pharmacophore approach: docking improvement using the QM/MM method

G Khodarahmi, P Asadi, H Farrokhpour… - RSC …, 2015 - pubs.rsc.org
Considering the potent cytotoxic activities of hybrid benzofuran–imidazolium and
quinazolinone derivatives on the breast cancer cell line MCF-7, novel hybrid derivatives …