6CEH

Design, Synthesis, X-ray and Biological Activities of Selenides Bearing the Benzenesulfonamide Moiety as New Class of Agents for Prevention of Diabetic Cerebrovascular Pathology

6CEH の概要

• エントリーDOI: 10.2210/pdb6ceh/pdb
• 分子名称: Carbonic anhydrase 2, ZINC ION, 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide, ... (6 entities in total)
• 機能のキーワード: carbonic anhydrase inhibitors, diabetic pathology, organoselenium, lyase-lyase inhibitor complex, lyase/lyase inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 30059.92

構造登録者

Peat, T.S.,Angeli, A.,di Cesare Mannelli, L.,Trallori, E.,Ghelardini, C.,Carta, F.,Supuran, C.T. (登録日: 2018-02-11, 公開日: 2018-05-23, 最終更新日: 2023-10-04)

主引用文献

Angeli, A.,di Cesare Mannelli, L.,Trallori, E.,Peat, T.S.,Ghelardini, C.,Carta, F.,Supuran, C.T.
Design, Synthesis, and X-ray of Selenides as New Class of Agents for Prevention of Diabetic Cerebrovascular Pathology.
ACS Med Chem Lett, 9:462-467, 2018

PubMed Abstract: A series of novel selenides bearing benzenesulfonamide moieties was synthesized and investigated for their inhibition on six human (h) carbonic anhydrase (CA, EC 4.2.1.1) isoforms such as the physiologically relevant hCA I, II, VA, VB, VII, and IX and the X-ray complex in adduct with hCA II for some of them investigated. These enzymes are involved in a variety of diseases including glaucoma, retinitis pigmentosa, epilepsy, arthritis, metabolic disorders, and cancer. The investigated compounds showed potent inhibitory action against hCA VA, VII, and IX, in the low nanomolar range, thus making them of interest for the development of isoform-selective inhibitors and as candidates for various biomedical applications.

PubMed: 29795760
DOI: 10.1021/acsmedchemlett.8b00076

実験手法

X-RAY DIFFRACTION (1.43 Å)