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

Summary for 6CEH

• Entry DOI: 10.2210/pdb6ceh/pdb
• Descriptor: Carbonic anhydrase 2, ZINC ION, 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide, ... (6 entities in total)
• Functional Keywords: carbonic anhydrase inhibitors, diabetic pathology, organoselenium, lyase-lyase inhibitor complex, lyase/lyase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 30059.92

Authors

Peat, T.S.,Angeli, A.,di Cesare Mannelli, L.,Trallori, E.,Ghelardini, C.,Carta, F.,Supuran, C.T. (deposition date: 2018-02-11, release date: 2018-05-23, Last modification date: 2023-10-04)

Primary citation

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

Experimental method

X-RAY DIFFRACTION (1.43 Å)