7ORP

crystal structure of human carbonic anhydrase II in complex with 4-((2-hydroxy-3-((3,4,5-trimethoxyphenyl)tellanyl)propyl)selanyl)benzenesulfonamide

これはPDB形式変換不可エントリーです。

7ORP の概要

• エントリーDOI: 10.2210/pdb7orp/pdb
• 分子名称: Carbonic anhydrase 2, ZINC ION, GLYCEROL, ... (6 entities in total)
• 機能のキーワード: carbonic anhydrase ii, inhibitor, organoselenium, sulfonamide, metalloenzyme, lyase
• 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: 30622.57

構造登録者

Angeli, A.,Ferraroni, M. (登録日: 2021-06-06, 公開日: 2022-06-22, 最終更新日: 2024-02-07)

主引用文献

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

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: 34507012
DOI: 10.1016/j.ejmech.2021.113793

実験手法

X-RAY DIFFRACTION (1.43 Å)