☆ 4.7 Article

Synthesis, molecular docking analysis and carbonic anhydrase I-II inhibitory evaluation of new sulfonamide derivatives

BIOORGANIC CHEMISTRY (2019)

Journal

BIOORGANIC CHEMISTRY

Volume 91, Issue -, Pages -

Publisher

ACADEMIC PRESS INC ELSEVIER SCIENCE

DOI: 10.1016/j.bioorg.2019.103153

Keywords

Carbonic anhydrase; Sulfonamide; Cytotoxicity; Molecular docking; ADME

Categories

Biochemistry & Molecular Biology Chemistry, Organic

Funding

Anadolu University Scientific Projects Fund [1803S050]

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Abstract

New sulfonamide-hydrazone derivatives (3a-3n) were synthesized to evaluate their inhibitory effects on purified human carbonic anhydrase (hCA) I and II. The inhibition profiles of the synthesized compounds on hCA I-II isoenzyme were investigated by comparing their IC50 and K-i values. Acetazolamide (5-acetamido-1,3,4-thia-diazole-2-sulfonamide, AZA) has also been used as a standard inhibitor. The compound 3e demonstrated the best hCA I inhibitory effect with a K-i value of 0.1676 +/- 0.017 mu M. Besides, the compound 3m showed the best hCA II inhibitory effect with a K-i value of 0.2880 +/- 0.080 mu M. Cytotoxicity of the compounds 3e and 3m toward NIH/3T3 mouse embryonic fibroblast cell line was observed and the compounds were found to be non-cytotoxic. Molecular docking studies were performed to investigate the interaction types between active compounds and hCA enzymes. Pharmacokinetic profiles of compounds were assessed by theoretical ADME predictions. As a result of this study a novel and potent class of CA inhibitors were identified with a good activity potential.

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BIOORGANIC CHEMISTRY (2024)

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Article Biochemistry & Molecular Biology

Exploring the reactivity of bicyclic α-iminophosphonates to access new imidazoline I2 receptor ligands

Andrea Bagan, Sonia Abas, Judith Pala-Pujadas, Alba Irisarri, Christian Grinan-Ferre, Merce Pallas, Itziar Muneta-Arrate, Carolina Muguruza, Luis F. Callado, Belen Perez, Elies Molins, Jose A. Morales-Garcia, Carmen Escolano

Summary: Recent studies have identified the modulation of imidazoline I-2 receptors (I-2-IR) by selective ligands as a potential strategy for treating neurodegenerative diseases. This study reports a family of bicyclic alpha-iminophosphonates that show high affinity and selectivity for I-2-IR and demonstrates their neuroprotective and anti-inflammatory effects in in vitro and in vivo models. The findings emphasize the importance of exploring structurally novel I-2-IR ligands for therapeutic strategies in neurodegeneration.

BIOORGANIC CHEMISTRY (2024)

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Article Biochemistry & Molecular Biology

Discovery of a potent and selective CBP bromodomain inhibitor (Y08262) for treating acute myeloid leukemia

Qiuping Xiang, Tianbang Wu, Cheng Zhang, Chao Wang, Hongrui Xu, Qingqing Hu, Jiankang Hu, Guolong Luo, Xiaoxi Zhuang, Xishan Wu, Yan Zhang, Yong Xu

Summary: This study reports the discovery of a 1-(indolizin-3-yl)ethan-1-one derivative as a potent and selective CBP bromodomain inhibitor for AML drug development.

BIOORGANIC CHEMISTRY (2024)

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