7ORQ
crystal structure of human carbonic anhydrase II in complex with 4-((3-(butylselanyl)-2-hydroxypropyl)selanyl)benzenesulfonamide
This is a non-PDB format compatible entry.
Summary for 7ORQ
| Entry DOI | 10.2210/pdb7orq/pdb |
| Descriptor | Carbonic anhydrase 2, ZINC ION, GLYCEROL, ... (6 entities in total) |
| Functional Keywords | carbonic anhydrase ii, metalloenzyme, sulfonamide, selenium, inhibitor, lyase |
| Biological source | Homo sapiens (human) |
| Total number of polymer chains | 1 |
| Total formula weight | 30305.16 |
| Authors | Angeli, A.,Ferraroni, M. (deposition date: 2021-06-06, release date: 2022-06-22, Last modification date: 2024-02-07) |
| Primary citation | Tanini, D.,Carradori, S.,Capperucci, A.,Lupori, L.,Zara, S.,Ferraroni, M.,Ghelardini, C.,Mannelli, L.,Micheli, L.,Lucarini, E.,Carta, F.,Angeli, A.,Supuran, C.T. Chalcogenides-incorporating carbonic anhydrase inhibitors concomitantly reverted oxaliplatin-induced neuropathy and enhanced antiproliferative action. Eur.J.Med.Chem., 225:113793-113793, 2021 Cited by PubMed Abstract: Platinum-based chemotherapy is widely used for the treatment of different tumors but is associated with serious side effects, among which neuropathic pain. Carbonic anhydrase (CA, EC 4.2.1.1) inhibitors have recently been validated as therapeutic agents in neuropathic pain and as antitumor agents. We report the synthesis of new organochalcogenides bearing the benzensulfonamide moiety acting as potent inhibitors of several human CA isoforms and, in particular, against hCA II and VII endowed with potent neuropathic pain attenuating effects. Moreover, in combination with cisplatin or doxorubicin, some of the new CA inhibitors enhanced the effects of the anticancer drugs capability in counteracting breast cancer MCF7 cell viability. The concomitant anti-neuropathic pain and antiproliferative effects of the new chalcogenide-based CA inhibitors represent an innovative approach for the counteraction and management of side effects associated with clinically platinum drugs as antitumor agents. PubMed: 34507012DOI: 10.1016/j.ejmech.2021.113793 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.43 Å) |
Structure validation
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