9SNC
human carbonic anhydrase II in complex with N-(4-fluorophenyl)-4-(4-sulfamoylphenyl)piperazine-1-carboxamide
This is a non-PDB format compatible entry.
Summary for 9SNC
| Entry DOI | 10.2210/pdb9snc/pdb |
| Descriptor | Carbonic anhydrase 2, GLYCEROL, 1,2-ETHANEDIOL, ... (6 entities in total) |
| Functional Keywords | carbonic anhydrase ii, metalloenzyme, sulfonamide, inhibitor, lyase |
| Biological source | Homo sapiens (human) |
| Total number of polymer chains | 1 |
| Total formula weight | 29887.05 |
| Authors | |
| Primary citation | Micheli, L.,Angeli, A.,Di Cesare Mannelli, L.,Ghelardini, C.,Ferraroni, M.,Barons, R.,Zalubovskis, R.,Zara, S.,Carradori, S.,Supuran, C.T. Targeting Human Carbonic Anhydrases with Novel Piperazine and Homopiperazine Benzenesulfonamides to Alleviate Paclitaxel-Induced Peripheral Neuropathy. J.Med.Chem., 68:25485-25504, 2025 Cited by PubMed Abstract: In this study, we developed novel carbonic anhydrase (CA) inhibitors potentially useful in managing paclitaxel-induced peripheral neuropathy. A total of 64 new compounds were synthesized and evaluated for inhibitory activity against hCAs showing interesting inhibition activity against hCA II, hCA VA, and hCA VII, the main isoforms implicated in this pathology. X-ray crystallographic analysis of compounds , , , and on hCA II revealed, for the first time, distinct orientations of piperazine and homopiperazine rings within the active site. testing of the most promising derivatives (, , , and ) demonstrated significant pain relieving effects in a mouse model of paclitaxel-induced peripheral neuropathy, with potent and sustained activity lasting up to 90 min postadministration. Notably, compound produced antihypersensitivity effects at a dose 33-fold lower than reference drugs such as acetazolamide and gabapentin. PubMed: 41307493DOI: 10.1021/acs.jmedchem.5c02626 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.4 Å) |
Structure validation
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