Lijiao Zhao
Beijing University of Technology
Publications 36
#1Yuxing Hao (Beijing University of Technology)H-Index: 1
#2Guohui Sun (Beijing University of Technology)H-Index: 6
Last.Yongzhen Peng (Beijing University of Technology)H-Index: 3
view all 9 authors...
Abstract Nitroaromatic compounds (NACs) are an important type of environmental organic pollutants. However, it is lack of sufficient information relating to their potential adverse effects on human health and the environment due to the limited resources. Thus, using in silico technologies to assess their potential hazardous effects is urgent and promising. In this study, quantitative structure activity relationship (QSAR) and classification models were constructed using a set of NACs based on th...
1 CitationsSource
#1Xiaoqian Qi (Beijing University of Technology)H-Index: 1
#2Na Zhang (Beijing University of Technology)H-Index: 5
Last.Rugang Zhong (Beijing University of Technology)H-Index: 9
view all 8 authors...
Abstract Protein kinase CK2 has emerged as an attractive cancer therapeutic target. Previous studies have highlighted the challenge of optimizing CK2 ATP-competitive inhibitors that have low druggability due to their polycyclic ring scaffolds. Therefore the development of novel inhibitors with non-polycyclic scaffolds emerges as a promising strategy for drug discovery targeting CK2. In this current study, based on the similar predicted binding poses of the linear 2-propenone scaffold of isoliqui...
#1Tengjiao FanH-Index: 5
#2Guohui SunH-Index: 6
Last.Yongzhen PengH-Index: 3
view all 6 authors...
Tumor formation and growth depend on various biological metabolism processes that are distinctly different with normal tissues. Abnormal energy metabolism is one of the typical characteristics of tumors. It has been proven that most tumor cells highly rely on aerobic glycolysis to obtain energy rather than mitochondrial oxidative phosphorylation (OXPHOS) even in the presence of oxygen, a phenomenon called “Warburg effect”. Thus, inhibition of aerobic glycolysis becomes an attractive strategy to ...
7 CitationsSource
#1Shan Tang (Beijing University of Technology)H-Index: 1
#2Na Zhang (Beijing University of Technology)H-Index: 5
Last.Rugang Zhong (Beijing University of Technology)H-Index: 9
view all 7 authors...
#1Yao Ge (Beijing University of Technology)H-Index: 1
#2Xinxin Lai (Beijing University of Technology)H-Index: 1
Last.Rugang Zhong (Beijing University of Technology)H-Index: 9
view all 11 authors...
Aim: A hypoxia-activated combi-nitrosourea prodrug, N-(2-chloroethyl)-N′-2-(2-(4-nitrobenzylcarbamate)-O 6-benzyl-9-guanine)ethyl-N-nitrosourea (NBGNU), was synthesized and evaluated for its hypoxic selectivity and anticancer activity in vitro. Results: The prodrug was designed as a tripartite molecule consisting of a chloroethylnitrosourea pharmacophore to induce DNA interstrand crosslinks (ICLs) and an O 6-benzylguanine analog moiety masked by a 4-nitrobenzylcarbamate group to induce hypoxia-a...
N’-nitrosonornicotine (NNN) is one of the tobacco-specific nitrosamines (TSNAs) that exists widely in smoke and smokeless tobacco products. NNN can induce tumors in various laboratory animal models and has been identified by International Agency for Research on Cancer (IARC) as a human carcinogen. Metabolic activation of NNN is primarily initiated by cytochrome P450 enzymes (CYP450s) via 2′-hydroxylation or 5′-hydroxylation. Subsequently, the hydroxylating intermediates undergo spontaneous decom...
O6-alkylguanine-DNA alkyltransferase (AGT) is the main cause of tumor cell resistance to DNA-alkylating agents, so it is valuable to design tumor-targeted AGT inhibitors with hypoxia activation. Based on the existing benchmark inhibitor O6-benzylguanine (O6-BG), four derivatives with hypoxia-reduced potential and their corresponding reduction products were synthesized. A reductase system consisting of glucose/glucose oxidase, xanthine/xanthine oxidase, and catalase were constructed, and the redu...
#1Guohui SunH-Index: 6
#2Tengjiao FanH-Index: 5
Last.Yongzhen PengH-Index: 3
view all 10 authors...
O6-methylguanine-DNA methyltransferase (MGMT), a unique DNA repair enzyme, can confer resistance to DNA anticancer alkylating agents that modify the O6-position of guanine. Thus, inhibition of MGMT activity in tumors has a great interest for cancer researchers because it can significantly improve the anticancer efficacy of such alkylating agents. In this study, we performed a quantitative structure activity relationship (QSAR) and classification study based on a total of 134 base analogs related...
3 CitationsSource
To better understand the mechanism of in vivo toxicity of N-nitroso compounds (NNCs), the toxicity data of 80 NNCs related to their rat acute oral toxicity data (50% lethal dose concentration, LD50) were used to establish quantitative structure-activity relationship (QSAR) and classification models. Quantum chemistry methods calculated descriptors and Dragon descriptors were combined to describe the molecular information of all compounds. Genetic algorithm (GA) and multiple linear regression (ML...
5 CitationsSource
#1Guohui Sun (Beijing University of Technology)H-Index: 6
#2Lijiao Zhao (Beijing University of Technology)H-Index: 7
Last.Yongzhen Peng (Beijing University of Technology)H-Index: 3
view all 4 authors...
The DNA repair protein, O6-methylguanine DNA methyltransferase (MGMT), can confer resistance to guanine O6-alkylating agents. Therefore, inhibition of resistant MGMT protein is a practical approach to increase the anticancer effects of such alkylating agents. Numerous small molecule inhibitors were synthesized and exhibited potential MGMT inhibitory activities. Although they were nontoxic alone, they also inhibited MGMT in normal tissues, thereby enhancing the side effects of chemotherapy. There...
7 CitationsSource