代表性研究论文和专利
[1] Wang, Y.; Wang, P.; Fan, T.; Ren, T.; Zhang, N.; Zhao, L.; Zhong, R.; Sun, G.H* From molecular descriptors to the developmental toxicity prediction of pesticides/veterinary drugs/bio-pesticides against zebrafish embryo: Dual computational toxicological approaches for prioritization. Journal of Hazardous Materials 2024, 476, 134945. (IF: 13.6, JCR1区,通讯作者)
[2] Li, F.F.; Wang, P.; Fan, T.J.; Zhang, N.; Zhao, L.J.; Zhong, R.G.; Sun G.H.* Prioritization of the ecotoxicological hazard of PAHs towards aquatic species spanning three trophic levels using 2D-QSTR, read-across and machine learning-driven modelling approaches, Journal of Hazardous Materials, 2024, 465, 133410. (IF: 13.6, JCR1区,通讯作者)
[3] Huang, Y., Wang, P., Fan, T., Zhang, N., Zhao, L., Zhong, R., Sun, G. H.* Energy blocker lonidamine reverses nimustine resistance in human glioblastoma cells through energy blockade, redox homeostasis disruption, and O6-methylguanine-DNA methyltransferase downregulation: in vitro and in vivo validation. ACS Pharmacology & Translational Science 2024, 7(5), 1518-1532. (IF: 6.0,JCR1区,通讯作者)
[4] Lu, X., Wang, X., Chen, S., Fan, T., Zhao, L., Zhong, R., Sun, G. H*. The rat acute oral toxicity of trifluoromethyl compounds (TFMs): a computational toxicology study combining the 2D-QSTR, read-across and consensus modeling methods. Archives of Toxicology, 2024, 98, 2213–2229 (IF: 6.1,JCR1区,通讯作者)
[5] Wang, Q.Q.; Fan, T.J.; Jia, R.Q.; Zhang, N.; Zhao, L.J.; Zhong, R.G.; Sun, G.H.* First report on the QSAR modelling and multistep virtual screening of the inhibitors of nonstructural protein Nsp14 of SARS-CoV-2: Reducing unnecessary chemical synthesis and experimental tests. Arabian Journal of Chemistry 2024, 17(3), 105614. (IF: 6.0, JCR2区,通讯作者)
[6] Wang, Q.Q.; Lu, X.Y.; Jia, R.Q.*; Yan, X.L.*; Wang, J.H.*; Zhao, L.J.; Zhong, R.G.; Sun, G.H.* Recent advances in chemometric modelling of inhibitors against SARS-CoV-2. Heliyon, 2024, 10, e24209. (IF: 4.0, JCR2区,通讯作者)
[7] Li, Y.S.; Fan, T.J.; Ren, T.; Zhang, N.; Zhao, L.J.; Zhong, R. G.; Sun, G. H.* Ecotoxicological risk assessment of pesticides against different aquatic and terrestrial species: using mechanistic QSTR and iQSTTR modelling approaches to fill toxicity data gap. Green Chemistry, 2024, 26, 839–856. (IF: 9.8, JCR1区,通讯作者)
[8] Bai, P. Y.; Fan, T. J.; Wang, X.; Zhao, L. J.; Zhong, R. G.; Sun, G. H.* Modulating MGMT expression through interfering with cell signaling pathways. Biochemical Pharmacology, 2023, 215, 115726. (IF: 5.8, JCR 1区,通讯作者)
[9] Sun, G. H.*; Bai, P. y.; Fan, T. J.; Zhao, L. J.; Zhong, R. G.; McElhinney, R. S.; McMurry, T. B. H.; Donnelly, D. J.; McCormick, J. E.; Kelly, J.; Margison, G. P.* QSAR and chemical read-across analysis of 370 potential MGMT inactivators to identify the structural features influencing inactivation potency. Pharmaceutics, 2023, 15(8), 2170. (IF: 5.4, JCR 1区,第一/通讯作者)
[10] Sun, G.H.*; Wang, C.W.* Molecular toxicology and cancer prevention. Molecules, 2023, 28, 7730. (IF: 4.6, JCR2区, 第一/通讯作者)
[11] Chen, S.; Sun, G. H.*; Fan, T. J.; Li, F. F.; Xu, Y. C.; Zhang, N.; Zhao, L. J.; Zhong, R. Ecotoxicological QSAR study of fused/non-fused polycyclic aromatic hydrocarbons (FNFPAHs): Assessment and priority ranking of the acute toxicity to Pimephales promelas by QSAR and consensus modeling methods. Science of the Total Environment 2023, 876, 162736. (IF: 9.8, JCR 1区) (通讯作者) (ESI高被引)
[12] Tu, J.; Wu, T.; Yu, Q.; Li, J. X.; Zheng, S.; Qi, K. Z.; Sun, G. H.*; Xiao, R.*; Wang, C. W.* Introduction of multilayered magnetic core–dual shell SERS tags into lateral flow immunoassay: A highly stable and sensitive method for the simultaneous detection of multiple veterinary drugs in complex samples. Journal of Hazardous Materials, 2023, 448, 130912. (IF: 13.6, JCR 1区) (通讯作者) (ESI高被引)
[13] Bai, P. Y.; Fan, T. J.; Sun, G. H.*; Wang, X.; Zhao, L. J.; Zhong, R. G. The dual role of DNA repair protein MGMT in cancer prevention and treatment. DNA Repair, 2023, 123, 103449. (IF: 3.8,JCR 2区) (通讯作者)
[14] Li, F. F.; Sun, G. H.*; Fan, T. J.; Zhang, N.; Zhao, L. J.; Zhong, R. G.; Peng, Y. Z. Ecotoxicological QSAR modelling of the acute toxicity of fused and non-fused polycyclic aromatic hydrocarbons (FNFPAHs) against two aquatic organisms: Consensus modelling and comparison with ECOSAR. Aquatic Toxicology 2023, 255, 106393. (IF: 4.5, JCR 1区) (通讯作者) (ESI高被引)
[15] Hao, Y. X.; Fan, T. J.; Sun, G.H.*; Li, F. F.; Zhang, N.; Zhao, L. J.; Zhong, R. G. Environmental toxicity risk evaluation of nitroaromatic compounds: Machine learning driven binary/multiple classification and design of safe alternatives. Food and Chemical Toxicology, 2022, 170, 113461. (IF: 4.3, JCR 1区) (通讯作者)
[16] Li, F.F.; Fan, T.J.; Sun, G.H.*; Zhao, L.J.; Zhong, R.G.; Peng, Y.Z. Systematic QSAR and iQCCR modelling of fused/non-fused aromatic hydrocarbons (FNFAHs) carcinogenicity to rodents: reduce unnecessary chemical synthesis and animal testing. Green Chemistry, 2022, 2022, 24, 5304. (IF: 9.8, JCR 1区) (通讯作者)
[17] Sun, X.D.; Fan, T.J.; Sun, G.H.*; Zhou, Y.; Huang, Y.X.; Zhang, N.; Zhao, L.J.; Zhong, R.G.; Peng, Y.Z. 2-Deoxy-D-glucose increases the sensitivity of glioblastoma cells to BCNU through the regulation of glycolysis, ROS and ERS pathways: In vitro and in vivo validation. Biochemical Pharmacology, 2022, 199, 115029. (IF: 5.8, JCR 1区) (通讯作者)
[18] Sun, G.H.*; Zhang, Y.F.; Pei, L.Y.; Lou, Y.Q.; M, Y.; Yun, J.Y.; Li, F.F.; Wang, Y.C.; Hao, Z.Q.; Xi, S.; Li, C.; Chen, C.H.; Zhao, L.J.*; Zhang, N.; Zhong, R.G.; Peng, Y.Z. Chemometric QSAR modeling of acute oral toxicity of Polycyclic Aromatic Hydrocarbons (PAHs) to rat using simple 2D descriptors and interspecies toxicity modeling with mouse. Ecotoxicology and Environmental Safety, 2021, 222, 112525. (IF: 6.8, JCR 1区) (第一/通讯作者)
[19] Huang, T.; Sun, G.H.*; Zhao, L.J.; Zhang, N.; Zhong, R.G.; Peng, Y.Z. Quantitative Structure-Activity Relationship (QSAR) studies on the toxic effects of nitroaromatic compounds (NACs): A systematic review. International Journal of Molecular Sciences, 2021, 22, 8557. (IF:5.6, JCR 1区) (通讯作者)
[20] Zhang, C.; Hong, L.; Ma, N.*; Sun, G. H.* Logic analysis of how the emergency management legal system used to deal with public emerging infectious diseases under balancing of competing interests—the case of COVID-19. Healthcare, 2021, 9, 857. (IF:3.16, JCR 2区) (通讯作者)
[21] Ma, N.; Ma, S.; Li, S. J.; Ma, S.*; Pan, X. Z.; Sun, G. H.* The study of spatial safety and social psychological health features of deaf children and children with an intellectual disability in the public school environment based on the visual access and exposure (VAE) model. International Journal of Environmental Research and Public Health, 2021, 18(8), 4322. (IF: 4.614, JCR 1区) (通讯作者)
[22] Hao, Y. X.; Sun, G. H.*; Fan, T. J.; Tang, X. Y.; Zhang J.; Liu, Y. D.; Zhang, N.; Zhao, L. J.; Zhong, R. G.; Peng, Y. Z. In vivo toxicity of nitroaromatic compounds to rats: QSTR modelling and interspecies toxicity relationship with mouse. Journal of Hazardous Materials, 2020, 399, 122981. (IF: 13.6, JCR 1区) (通讯作者)
[23] Huang, Y. X.; Sun, G. H.*; Sun, X. D.; Li, F. F.; Zhao, L. J.; Zhong, R. G.; Peng, Y. Z. The potential of lonidamine in combination with chemotherapy and physical therapy in cancer treatment. Cancers, 2020, 12, 3332. (IF: 5.2, JCR 2区) (通讯作者)
[24] Sun, X. D.; Sun, G. H.*; Huang, Y. X.; Hao Y. X.; Tang, X. Y.; Zhang, N.; Zhao, L. J.; Zhong, R. G.; Peng, Y. Z. 3-Bromopyruvate regulates the status of glycolysis and BCNU sensitivity in human hepatocellular carcinoma cells. Biochemical Pharmacology, 2020, 177, 113988. (IF: 5.8, JCR 1区) (通讯作者)
[25] Sun, X. D.; Sun, G. H.*; Huang, Y. X.; Zhang, S. F.; Tang, X. Y.; Zhang, N.; Zhao, L. J.; Zhong, R. G.; Peng, Y. Z. Glycolytic inhibition by 3-bromopyruvate increases the cytotoxic effects of chloroethylnitrosoureas to human glioma cells and the DNA interstrand cross-links formation. Toxicology, 2020, 435, 152413. (IF: 4.5, JCR 1区) (通讯作者)
[26] Hao, Y. X.; Sun, G. H.*; Fan, T. J.; Sun, X. D.; Liu, Y. D.; Zhang, N.; Zhao, L. J.; Zhong, R. G.; Peng, Y. Z. Prediction on the mutagenicity of nitroaromatic compounds using quantum chemistry descriptors based QSAR and machine learning derived classification methods. Ecotoxicology and Environmental Safety, 2019, 186, 109822. (IF: 6.8, JCR 1区) (通讯作者)
[27] Fan T. J.; Sun, G. H.*; Sun X. D.; Zhao, L. J.; Zhong, R. G.; Peng Y. Z. Tumor energy metabolism and potential of 3-bromopyruvate as an inhibitor of aerobic glycolysis: implications in tumor treatment. Cancers, 2019, 11, 317. (IF:5.2, JCR2区,Editor’s Choice) (通讯作者)
[28] Sun, G. H.*; Fan, T. J.; Sun, X. D.; Hao, Y. X.; Cui, X.; Zhao, L. J.*; Ren, T.; Zhou, Y.; Zhong, R. G.; Peng, Y. Z. In silico prediction of O6-methylguanine-DNA methyltransferase inhibitory potency of base analogs with QSAR and machine learning methods. Molecules, 2018, 23, 2892. (IF:4.6, JCR 2区) (Feature Paper) (第一/通讯作者)
[29] Sun, G. H.; Zhao, L. J.*; Zhong, R. G.; Peng, Y. Z. The specific role of O6-methylguanine-DNA methyltransferase inhibitors in cancer chemotherapy. Future Medicinal Chemistry, 2018, 10, 1971-1996. (IF:4.2, JCR 2区) (第一作者)
[30] Sun, G. H.; Fan, T. J.; Zhao, L. J.*; Zhou, Y.; Zhong, R. G. The potential of combi-molecules with DNA-damaging function as anticancer agents. Future Medicinal Chemistry, 2017, 9, 403-435. (IF:4.2, JCR 2区) (第一作者)
[31] Sun, G. H.; Zhang, N.; Zhao, L. J.*; Fan, T. J.; Zhang, S. F.; Zhong, R. G. Synthesis and antitumor activity evaluation of a novel combi-nitrosourea prodrug: Designed to release a DNA cross-linking agent and an inhibitor of O6-alkylguanine-DNA alkyltransferase. Bioorganic & Medicinal Chemistry, 2016, 24, 2097-2107. (IF:3.5, JCR 1区) (第一作者)
[32] Sun, G. H.; Zhao, L. J.*; Fan, T. J.; Ren, T.; Zhong, R. G. Measurement of O6-alkylguanine-DNA alkyltransferase activity in tumour cells using stable isotope dilution HPLC-ESI-MS/MS. Journal of Chromatography B, 2016, 1033, 138-146. (IF:3.0, JCR 2区) (第一作者)
[33] Sun, G. H.; Fan, T. J.; Zhang, N.; Ren, T.; Zhao, L. J.*; Zhong, R. G. Identification of the structural features of guanine derivatives as MGMT inhibitors using 3D-QSAR modeling combined with molecular docking. Molecules, 2016, 21, 823. (IF:4.6, JCR 2区) (第一作者)
[34] Sun, G. H.; Zhao, L. J.*; Zhong, R. G. The induction and repair of DNA interstrand crosslinks and implications in cancer chemotherapy. Anti-Cancer Agents in Medicinal Chemistry, 2016, 16, 221-246. (IF:2.8) (第一作者, JCR 3区)
[35] Sun, G. H.; Zhao, L. J.*; Fan, T. J.; Li, S. S.; Zhong, R. G. Investigations on the effect of O6-benzylguanine on the formation of dG-dC interstrand cross-links induced by chloroethylnitrosoureas in human glioma cells using stable isotope dilution high-performance liquid chromatography electrospray ionization tandem mass spectrometry. Chemical Research in Toxicology, 2014, 27, 1253-1262. (IF:4.1, JCR 2区) (第一作者)
[36] Fan, T. J.†; Sun, G. H.†; Zhao, L. J.*; Cui, X.; Zhong, R. G. QSAR and classification study on prediction of acute oral toxicity of N-nitroso compounds. International Journal of Molecular Sciences, 2018, 19, 3015. (Co-first author, IF:5.6, JCR 1区,TOP期刊)
[37] 孙国辉,肖伟男,孙晓东,范腾蛟,赵丽娇,钟儒刚,彭永臻. 一种低氧靶向肿瘤细胞DNA修复酶MGMT抑制剂及其制备方法与应用. 国家发明专利(已授权). 专利号: ZL201811634039.3
[38] 孙国辉,黄雅馨,郝兆骐,李辰,王雅琛,锡莎,孙晓东,张娜,赵丽娇,钟儒刚. 硝基苯取代的O6-3-氨甲基苄基鸟嘌呤及其制备方法与应用. 国家发明专利(已授权). 专利号: ZL202010184141.9.
[39] 孙国辉,李非凡,陈硕,赵丽娇,钟儒刚. 一种基于 2D 分子描述符的 PAHs 致癌性预测方法及预测模型. 国家发明专利. 申请号: CN202210115726.4
[40] 孙国辉, 陈硕, 范腾蛟, 赵丽娇, 钟儒刚. 一种基于 2D 分子描述符的 PFASs 口服急性毒性预测方法和预测模型. 国家发明专利. 申请号: CN202310879989.7
[41] 赵丽娇, 孙国辉, 钟儒刚. 一种新型的β-氯乙基亚硝基脲类化合物及其合成方法和用途. 国家发明专利(已授权). 专利号: ZL201410231997.1
[42] 陈硕,李非凡,孙国辉*,赵丽娇,钟儒刚. QSAR建模及其在抗病毒药物设计与筛选中的研究进展. 化学试剂. 2021, 43(7), 895~905. (通讯作者)