6LLC

Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma

Summary for 6LLC

• Entry DOI: 10.2210/pdb6llc/pdb
• Descriptor: NAD(P)H dehydrogenase [quinone] 1, FLAVIN-ADENINE DINUCLEOTIDE, 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide, ... (5 entities in total)
• Functional Keywords: oxidative stress, gbm, small molecular inhibitor, oxidoreductase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 12
• Total formula weight: 381770.35

Authors

Ye, K.,Li, H. (deposition date: 2019-12-23, release date: 2020-11-25, Last modification date: 2023-11-22)

Primary citation

Lei, K.,Gu, X.,Alvarado, A.G.,Du, Y.,Luo, S.,Ahn, E.H.,Kang, S.S.,Ji, B.,Liu, X.,Mao, H.,Fu, H.,Kornblum, H.I.,Jin, L.,Li, H.,Ye, K.
Discovery of a dual inhibitor of NQO1 and GSTP1 for treating glioblastoma.
J Hematol Oncol, 13:141-141, 2020

PubMed Abstract: Glioblastoma (GBM) is a universally lethal tumor with frequently overexpressed or mutated epidermal growth factor receptor (EGFR). NADPH quinone oxidoreductase 1 (NQO1) and glutathione-S-transferase Pi 1 (GSTP1) are commonly upregulated in GBM. NQO1 and GSTP1 decrease the formation of reactive oxygen species (ROS), which mediates the oxidative stress and promotes GBM cell proliferation.

PubMed: 33087132
DOI: 10.1186/s13045-020-00979-y

Experimental method

X-RAY DIFFRACTION (2.501 Å)