Discovery of Novel Inhibitors of Indoleamine 2,3-Dioxygenase 1 Through Structure-Based Virtual Screening.
Discovery of Novel Inhibitors of Indoleamine 2,3-Dioxygenase 1 Through Structure-Based Virtual Screening.
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通过基于结构的虚拟筛选发现新型吲哚胺 2,3-双加氧酶 1 抑制剂
DOI：
10.3389/fphar.2018.00277
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发表时间：
2018
影响因子：
5.6
通讯作者：
Yan S
中科院分区：
文献类型：
--
作者：
Zhang G;Xing J;Wang Y;Wang L;Ye Y;Lu D;Zhao J;Luo X;Zheng M;Yan S
Indoleamine 2,3-dioxygenase 1 (IDO1) is an intracellular monomeric heme-containing enzyme that catalyzes the first and the rate limiting step in catabolism of tryptophan via the kynurenine (KYN) pathway, which plays a significant role in the proliferation and differentiation of T cells. IDO1 has been proven to be an attractive target for anticancer therapy and chronic viral infections. In the present study, a class of IDO1 inhibitors with novel scaffolds were identified by virtual screening and biochemical validation, in which the compound DC-I028 shows moderate IDO1 inhibitory activity with an IC50 of 21.61 μM on enzymatic level and 89.11 μM on HeLa cell. In the following hit expansion stage, DC-I02806, an analog of DC-I028, showed better inhibitory activity with IC50 about 18 μM on both enzymatic level and cellular level. The structure–activity relationship (SAR) of DC-I028 and its analogs was then discussed based on the molecular docking result. The novel IDO1 inhibitors of DC-I028 and its analogs may provide useful clues for IDO1 inhibitor development.
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影响因子：
3.8
作者：
Mansfield AS;Heikkila PS;Vaara AT;von Smitten KA;Vakkila JM;Leidenius MH
通讯作者：
Leidenius MH
影响因子：
4.8
作者：
Astigiano, S;Morandi, B;Frumento, G
通讯作者：
Frumento, G
DOI：
10.1016/j.bbapap.2011.07.023
发表时间：
2011-12-01
影响因子：
3.2
作者：
Meininger, David;Zalameda, Leeanne;Sutherland, Claire L.
通讯作者：
Sutherland, Claire L.
影响因子：
28.2
作者：
Smith C;Chang MY;Parker KH;Beury DW;DuHadaway JB;Flick HE;Boulden J;Sutanto-Ward E;Soler AP;Laury-Kleintop LD;Mandik-Nayak L;Metz R;Ostrand-Rosenberg S;Prendergast GC;Muller AJ
通讯作者：
Muller AJ
影响因子：
4.4
作者：
Hwu, P;Du, MX;Young, HA
通讯作者：
Young, HA