(Z)-N-(3-([1,1'-biphenyl]-2-yl)-4-heptyl-4-hydroxythiazolidin-2-ylidene)-4-bromobenzamide as carbonic anhydrase inhibitor: exploration of its in vitro and in silico studies.

• Tác giả: Qamar Abbas, Aftab Ahmed, Pervaiz Ali Channar, Shagufta Naz Channar, Syeda Abida Ejaz, Seema Sarwar Ghumro, Tuncer Hökelek, Sara Ilyas, Mohamad Ahmad Saleem Khasawneh, Aamer Saeed, Rabail Ujan
• Ngôn ngữ: eng
• Ký hiệu phân loại: 809.008 History and description with respect to kinds of persons
• Thông tin xuất bản: Switzerland : BMC chemistry , 2025
• Bộ sưu tập: NCBI
• ID: 686701

Tóm tắt

Human Carbonic Anhydrase inhibitors (CAIs) have been clinically used to treat a variety of disorders, such as cancer, obesity, haemolytic anaemia, glaucoma, retinopathy, and epilepsy. To develop a Carbonic Anhydrase inhibitor, Iminothiazoline analogue ((Z)-N-(3-([1,1'-biphenyl]-2-yl)-4-heptyl-4-hydroxythiazolidin-2-ylidene)-4-bromobenzamide) was synthesized and characterized. Single crystal X-Ray diffraction studies and Hirshfeld surface analysis (HSA) were conducted to find the exact molecular structure as well as intermolecular interactions. DFT Calculations indicated the soft and reactive nature of molecule. In-Vitro carbonic anhydrase inhibition studies showed the excellent inhibition potential of (Z)-N-(3-([1,1'-biphenyl]-2-yl)-4-heptyl-4-hydroxythiazolidin-2-ylidene)-4-bromobenzamide (IC