Discovery of novel Macrocyclic small molecules Based on 2-Amino-4-thiazolylpyridineas selective EGFR inhibitors with high Blood-Brain barrier penetration for the treatment of glioblastoma

Authors: Wu, Guowu ¹, Zhou, Mingfeng ¹, Guo, Fengqiu, Lin, Yong, Chen, Yongxin, Kong, Yifan, Xiao, Jun, Wan, Shanhe, Li, Zhonghuang, Wu, Xiaoyun, Zhang, Tingting ^⁎, Zhang, Jiajie ^⁎

Source: In Bioorganic Chemistry December 2024 153

Design, synthesis and bioactivity evaluation of isobavachin derivatives as hURAT1 inhibitors for hyperuricemia agents

Authors: Zhao, Zean ^{a, b, 1}, Chen, Xinhua ^{a, 1}, Luo, Jiajun ^a, Chen, Mengyu ^a, Luo, Jian ^a, Chen, Jianjun ^a, Li, Zhonghuang ^a, Wan, Shanhe ^a, Wu, Ting ^a, Zhang, Jiajie ^{a, ⁎⁎}, Pang, Jianxin ^{a, b, ⁎⁎⁎}, Tian, Yuanxin ^{a, c, ⁎}

Source: In European Journal of Medicinal Chemistry 5 November 2024 277

A Side-Effect-Free Interventional Therapy for Precisely Eliminating Unresectable Cancer Pain

Authors: Zhang, Pengfei, Yao, Sheng, Tang, Yu, Wan, Shanhe, Chen, Xiaoyuan, Ma, Li

Source: ACS NANO. 17(23):23535-23544

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN632760743&indx=1&recIds=ETOCRN632760743

Discovery and Computational Studies of Potent Covalent Kinase Inhibitors with α-Substituent Electrophiles Targeting Cysteine

Authors: Ai, Yangcheng, Yang, Zichao, Yang, Zilong, Wan, Shanhe, Huang, Chunhui, Huang, Chuan, Li, Mingxia, Li, Zhonghuang, Zhang, Jiajie, Zhang, Tingting

Source: JOURNAL OF CHEMICAL INFORMATION AND MODELING. 63(2):493-506

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN632703065&indx=1&recIds=ETOCRN632703065

Discovery of 4-methyl-3-(pyridin-2-ylamino)benzamide derivatives as C-Abl inhibitors with potential neuroprotective effect

Authors: Yang, Zichao, Ai, Yangcheng, Wan, Shanhe, Yang, Zilong, Li, Honghao, Li, Zhonghuang, Huang, Chunhui, Zhang, Lishun, Li, Mingxia, Zhang, Jiajie, Zhang, Tingting

Source: In Bioorganic & Medicinal Chemistry 15 November 2022 74

Design and synthesis of proteolysis targeting chimeras (PROTACs) as an EGFR degrader based on CO-1686

Authors: Li, Qinlan, Guo, Qian, Wang, Shuyi, Wan, Shanhe, Li, Zhonghuang, Zhang, Jiajie, Wu, Xiaoyun

Source: In European Journal of Medicinal Chemistry 5 August 2022 238

Molecular mechanism study of EGFR allosteric inhibitors using molecular dynamics simulations and free energy calculations

Authors: Wu, Xiaoyun, Guo, Qian, Li, Qinlan, Wan, Shanhe, Li, Zhonghuang, Zhang, Jiajie

Source: Journal of biomolecular structure & dynamics. 40(13):5848-5857

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100156149429.0x000001&indx=1&recIds=ETOCvdc_100156149429.0x000001

Novel natural scaffold as hURAT1 inhibitor identified by 3D-shape-based, docking-based virtual screening approach and biological evaluation

Authors: Chen, Xinhua, Zhao, Zean, Luo, Jiajun, Wu, Ting, Shen, Yudong, Chang, Shan, Wan, Shanhe, Li, Zhonghuang, Zhang, Jiajie, Pang, Jianxin, Tian, Yuanxin

Source: In Bioorganic Chemistry December 2021 117

Molecular dynamics simulation and free energy calculation studies of the binding mechanism of allosteric inhibitors with TrkA kinase

Authors: Wu, Xiaoyun, Li, Qinlan, Wan, Shanhe, Zhang, Jiajie

Source: Journal of biomolecular structure & dynamics. 39(1):202-208

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100114763655.0x000001&indx=1&recIds=ETOCvdc_100114763655.0x000001

Identification of imidazo[4, 5-c]pyridin-2-one derivatives as novel Src family kinase inhibitors against glioblastoma

Authors: Zhang, Lishun, Yang, Zichao, Sang, Huiting, Jiang, Ying, Zhou, Mingfeng, Huang, Chuan, Huang, Chunhui, Wu, Xiaoyun, Zhang, Tingting, Zhang, Xingmei, Wan, Shanhe, Zhang, Jiajie

Source: Journal of enzyme inhibition and medicinal chemistry. 36(1):1539-1550

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100138859660.0x000001&indx=1&recIds=ETOCvdc_100138859660.0x000001

Computational studies of potent covalent inhibitors on wild type or T790M/L858R mutant epidermal growth factor receptor

Authors: Yang, Zichao, Yang, Haikui, Ai, Yangcheng, Zhang, Lishun, Li, Zhonghuang, Wan, Shanhe, Xu, Xuan, Zhang, Huiwu, Wu, Shaoyu, Zhang, Jiajie, Zhang, Tingting

Source: In European Journal of Pharmaceutical Sciences 1 September 2020 152

Design, synthesis and biological evaluations of 2-amino-4-(1-piperidine) pyridine derivatives as novel anti crizotinib-resistant ALK/ROS1 dual inhibitors

Authors: Liu, Siming, Jiang, Ying, Yan, Ruohong, Li, Zhonghuang, Wan, Shanhe, Zhang, Tingting, Wu, Xiaoyun, Hou, Ju, Zhu, Zhengguang, Tian, Yuanxin, Zhang, Jiajie

Source: In European Journal of Medicinal Chemistry 1 October 2019 179:358-375

Design, synthesis, biological evaluation and molecular modeling of novel 1H-pyrazolo[3,4-d]pyrimidine derivatives as BRAFV600E and VEGFR-2 dual inhibitors

Authors: Wang, Yuanyuan, Wan, Shanhe, Li, Zhonghuang, Fu, Yu, Wang, Guangfa, Zhang, Jiajie, Wu, Xiaoyun

Source: In European Journal of Medicinal Chemistry 15 July 2018 155:210-228

Design, synthesis, biological evaluation and molecular modeling of novel 2-amino-4-(1-phenylethoxy) pyridine derivatives as potential ROS1 inhibitors

Authors: Tian, Yuanxin, Zhang, Tingting, Long, Lifan, Li, Zhonghuang, Wan, Shanhe, Wang, Guangfa, Yu, Yonghuan, Hou, Ju, Wu, Xiaoyun, Zhang, Jiajie

Source: In European Journal of Medicinal Chemistry 1 January 2018 143:182-199

Insight into binding mechanisms of EGFR allosteric inhibitors using molecular dynamics simulations and free energy calculations

Authors: Wan, Shanhe, Yan, Ruohong, Jiang, Ying, Li, Zhonghuang, Zhang, Jiajie, Wu, Xiaoyun

Source: Journal of biomolecular structure & dynamics. 37(16):4384-4394

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100086929989.0x000001&indx=1&recIds=ETOCvdc_100086929989.0x000001

Protective effects of S‐carvedilol on doxorubicin‐induced damages to human umbilical vein endothelial cells and rats

Authors: Wu, Ting, Li, Haixin, Lan, Qunsheng, Zhao, Ze‐an, Cao, Ying, Zhou, Pingzheng, Wan, Shanhe, Zhang, Jiajie, Jiang, Hong, Zhang, Qun, Pang, Jianxin

Source: Journal of applied toxicology. 39(8):1233-1244

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100086894419.0x000001&indx=1&recIds=ETOCvdc_100086894419.0x000001

Discovery of Novel Small-Molecule-Based Potential PD-L1/EGFR Dual Inhibitors with High Druggability for Glioblastoma Immunotherapy.

Authors: Yang, Zichao, Liu, Ziqing, Wan, Shanhe, Xu, Jianwei, Huang, Yaqi, He, Haiqi, Liu, Ting, Li, Ling, Ren, Yichang, Zhang, Jiajie, Chen, Jianjun

Source: Journal of Medicinal Chemistry; 5/23/2024, Vol. 67 Issue 10, p7995-8019, 25p

Design, synthesis, biological evaluation and molecular modeling of novel 1H-pyrazolo[3, 4-d]pyrimidine derivatives as BRAFV600E and VEGFR-2 dual inhibitors

Authors: Wang, Yuanyuan, Wan, Shanhe, Li, Zhonghuang, Fu, Yu, Wang, Guangfa, Zhang, Jiajie, Wu, Xiaoyun

Source: European journal of medicinal chemistry. 155:210-228

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100084701541.0x000001&indx=1&recIds=ETOCvdc_100084701541.0x000001

Investigation on the binding mechanism of loratinib with the c-ros oncogene 1 (ROS1) receptor tyrosine kinase via molecular dynamics simulation and binding free energy calculations

Authors: Wu, Xiaoyun, Wang, Yuanyuan, Wan, Shanhe, Zhang, Jiajie

Source: Journal of biomolecular structure & dynamics. 36(12):3106-3113

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100072285181.0x000001&indx=1&recIds=ETOCvdc_100072285181.0x000001

Design, synthesis, anti-tumor activity, and molecular modeling of quinazoline and pyrido[2,3-d]pyrimidine derivatives targeting epidermal growth factor receptor

Authors: Hou, Ju, Wan, Shanhe, Wang, Guangfa, Zhang, Tingting, Li, Zhonghuang, Tian, Yuanxin, Yu, Yonghuan, Wu, Xiaoyun, Zhang, Jiajie

Source: In European Journal of Medicinal Chemistry 8 August 2016 118:276-289