Research Progress of Structure Based Antitumor Drug Design
- Corresponding author: Zhuo CHEN, zchen@fjirsm.ac.cn
Citation: Lei ZHANG, Zhuo CHEN. Research Progress of Structure Based Antitumor Drug Design[J]. Chinese Journal of Structural Chemistry, ;2020, 39(12): 2085-2090. doi: 10.14102/j.cnki.0254–5861.2011–3036
Prakash, G.; Hodnett, E. M. Discriminant analysis and structure-activity relationships. 1. Naphthoquinones. J. Med. Chem. 1978, 21, 369–374.
doi: 10.1021/jm00202a011
Bartkowiak, J.; Kapuscinski, J.; Melamed, M. R.; Darzynkiewicz, Z. Selective displacement of nuclear proteins by antitumor drugs having affinity for nucleic acids. Proc. Natl. Acad. Sci. U. S. A 1989, 86, 5151–5154.
doi: 10.1073/pnas.86.13.5151
Zhang, S. R.; Wang, X. Y.; Guo, Z. J. Rational design of anticancer platinum(Ⅳ) prodrugs. Adv. Inorg. Chem. 2020, 75, 149–182.
Yang, W. Q.; Chen, X.; Li, Y. L.; Guo, S. F.; Wang, Z.; Yu, X. L. Advances in pharmacological activities of terpenoids. Nat. Prod. Commun. 2020, 15, 1–3.
Wu, Y.; Huang, R.; Jin, J. M.; Zhang, L. J.; Zhang, H.; Chen, H. Z.; Chen, L. L.; Luan, X. Advances in the study of structural modification and biological activities of anoplin. Front. Chem. 2020, 8, 00519.
doi: 10.3389/fchem.2020.00519
Koike, K.; Nagano, M.; Ebihara, M.; Hirayama, T.; Tsuji, M.; Suga, H.; Nagasawa, H. Design, synthesis, and conformation-activity study of unnatural bridged bicyclic depsipeptides as highly potent hypoxia inducible factor-1 inhibitors and antitumor agents. J. Med. Chem. 2020, 63, 4022–4046.
doi: 10.1021/acs.jmedchem.9b02039
Sengupta, P.; Chattopadhyay, S.; Chatterjee, S. G-Quadruplex surveillance in BCL-2 gene: a promising therapeutic intervention in cancer treatment. Drug Discov. Today 2017, 22, 1165–1186.
doi: 10.1016/j.drudis.2017.05.001
Dallavalle, S.; Dobricic, V.; Lazzarato, L.; Gazzano, E.; Machuqueiro, M.; Pajeva, I.; Tsakovska, I.; Zidar, N.; Fruttero, R. Improvement of conventional anti-cancer drugs as new tools against multidrug resistant tumors. Drug Resist. Update 2020, 50, 100682.
doi: 10.1016/j.drup.2020.100682
Cascioferro, S.; Parrino, B.; Spano, V.; Carbone, A.; Montalbano, A.; Barraja, P.; Diana, P.; Cirrincione, G. 1, 3, 5-Triazines: a promising scaffold for anticancer drugs development. Eur. J. Med. Chem. 2017, 142, 523–549.
doi: 10.1016/j.ejmech.2017.09.035
Zhang, J. M.; Yang, P. L.; Gray, N. S. Targeting cancer with small molecule kinase inhibitors. Nat. Rev. Cancer. 2009, 9, 28–39.
doi: 10.1038/nrc2559
Feucht, J.; Sun, J.; Eyquem, J.; Ho, Y. J.; Zhao, Z. G.; Leibold, J.; Dobrin, A.; Cabriolu, A.; Hamieh, M.; Sadelain, M. Calibration of CAR activation potential directs alternative T cell fates and therapeutic potency. Nat. Med. 2019, 25, 82–88.
doi: 10.1038/s41591-018-0290-5
Landini, I.; Massai, L.; Cirri, D.; Gamberi, T.; Paoli, P.; Messori, L.; Mini, E.; Nobili, S. Structure-activity relationships in a series of auranofin analogues showing remarkable antiproliferative properties. J. Inorg. Biochem. 2020, 208, 111079.
doi: 10.1016/j.jinorgbio.2020.111079
Yamanaka, S.; Sato, Y.; Oikawa, D.; Goto, E.; Fukai, S.; Tokunaga, F.; Takahashi, H.; Sawasaki, T. Subquinocin, a small molecule inhibitor of CYLD and USP-family deubiquitinating enzymes, promotes NF-kappaB signaling. Biochem. Biophys. Res. Commun. 2020, 524, 1–7.
doi: 10.1016/j.bbrc.2019.12.049
Wang, X.; Tan, Y.; Huang, Z.; Huang, N.; Gao, M.; Zhou, F.; Hu, J.; Feng, W. Disrupting myddosome assembly in diffuse large Bcell lymphoma cells using the MYD88 dimerization inhibitor ST2825. Oncol. Rep. 2019, 42, 1755–1766.
Zhang, L.; Li, Y.; Wang, Q.; Chen, Z.; Li, X.; Wu, Z.; Hu, C.; Liao, D.; Zhang, W.; Chen, Z. S. The PI3K subunits, P110alpha and P110beta are potential targets for overcoming P-gp and BCRP-mediated MDR in cancer. Mol. Cancer. 2020, 19, 10.
doi: 10.1186/s12943-019-1112-1
Lu, S.; Qiu, Y.; Ni, D.; He, X.; Pu, J.; Zhang, J. Emergence of allosteric drug-resistance mutations: new challenges for allosteric drug discovery. Drug. Discov. Today 2020, 25, 177–184.
doi: 10.1016/j.drudis.2019.10.006
Huang, Z.; Zhao, J.; Deng, W.; Chen, Y.; Shang, J.; Song, K.; Zhang, L.; Wang, C.; Lu, S.; Yang, X.; He, B.; Min, J.; Hu, H.; Tan, M.; Xu, J.; Zhang, Q.; Zhong, J.; Sun, X.; Mao, Z.; Lin, H.; Xiao, M.; Chin, Y. E.; Jiang, H.; Xu, Y.; Chen, G.; Zhang, J. Identification of a cellularly active SIRT6 allosteric activator. Nat. Chem. Biol. 2018, 14, 1118–1126.
doi: 10.1038/s41589-018-0150-0
Lin, Y.; Chen, Z.; Hu, C.; Chen, Z. S.; Zhang, L. Recent progress in antitumor functions of the intracellular antibodies. Drug. Discov. Today 2020, 25, 1109–1120.
doi: 10.1016/j.drudis.2020.02.009
Liu, J.; Chen, Z.; Huang, M.; Tang, S.; Wang, Q.; Hu, P.; Gupta, P.; Ashby, C. R.; Chen, Z. S.; Zhang, L. Plasminogen activator inhibitor (PAI) trap3, an exocellular peptide inhibitor of PAI-1, attenuates the rearrangement of F-actin and migration of cancer cells. Exp. Cell. Res. 2020, 391, 111987.
doi: 10.1016/j.yexcr.2020.111987
Polizzi, N. F.; DeGrado, W. F. A defined structural unit enables de novo design of small-molecule-binding proteins. Science 2020, 369, 1227–1233.
doi: 10.1126/science.abb8330
Fuglestad, B.; Marques, B. S.; Jorge, C.; Kerstetter, N. E.; Valentine, K. G.; Wand, A. J. Reverse micelle encapsulation of proteins for nmr spectroscopy. Methods Enzymol. 2019, 615, 43–75.
Tabata, S.; Jevtic, M.; Kurashige, N.; Fuchida, H.; Kido, M.; Tani, K.; Zenmyo, N.; Uchinomiya, S.; Harada, H.; Itakura, M.; Hamachi, I.; Shigemoto, R.; Ojida, A. Electron microscopic detection of single membrane proteins by a specific chemical labeling. iScience 2019, 22, 256–268.
doi: 10.1016/j.isci.2019.11.025
Glasgow, A. A.; Huang, Y. M.; Mandell, D. J.; Thompson, M.; Ritterson, R.; Loshbaugh, A. L.; Pellegrino, J.; Krivacic, C.; Pache, R. A.; Barlow, K. A.; Ollikainen, N.; Jeon, D.; Kelly, M. J. S.; Fraser, J. S.; Kortemme, T. Computational design of a modular protein sense-response system. Science 2019, 366, 1024–1028.
doi: 10.1126/science.aax8780
Liu, C.; Zhou, H.; Sheng, X. B.; Liu, X. H.; Chen, F. H. Design, synthesis and SARs of novel telomerase inhibitors based on BIBR1532. Bioorg. Chem. 2020, 102, 104077.
doi: 10.1016/j.bioorg.2020.104077
Jeffrey, J. L.; Lawson, K. V.; Powers, J. P. Targeting metabolism of extracellular nucleotides via inhibition of ectonucleotidases CD73 and CD39. J. Med. Chem. 2020. doi: 10.1021/acs.jmedchem.0c01044 (In press).
doi: 10.1021/acs.jmedchem.0c01044
Kang, C. H.; Choi, S. U.; Son, Y. H.; Lee, H. K.; Jeong, H. G.; Yun, C. S.; Ahn, S.; Park, C. H. Discovery of a novel chemical scaffold against mutant isocitrate dehydrogenase 1 (IDH1). Anticancer Res. 2020, 40, 4929–4935.
Grillo, I. B.; Urquiza-Carvalho, G. A.; Rocha, G. B. PRIMoRDiA: a software to explore reactivity and electronic structure in large biomolecules. J. Chem. Inf. Model. 2020. doi: 10.1021/acs.jcim.0c00655 (In press).
doi: 10.1021/acs.jcim.0c00655
Wang, S.; Hu, X.; Feng, Z.; Liu, L.; Sun, K.; Xu, S. Recognition of ion ligand binding sites based on amino acid features with the fusion of energy, physicochemical and structural features. Curr. Pharm. Des. 2020. doi: 10.2174/1381612826666201029100636 (In press).
doi: 10.2174/1381612826666201029100636
Waldmann, H.; Hart, P.; Hommen, P.; Noisier, A.; Krzyzanowski, A.; Schuler, D.; Porfetye, A. T.; Akbarzadeh, M.; Vetter, I. R.; Adihou, H. Structure based design of bicyclic peptide inhibitors of RbAp48. Angew. Chem. Int. Ed. Engl. 2020. doi: 10.1002/anie.202009749 (In press).
doi: 10.1002/anie.202009749
Kalirajan, R.; Pandiselvi, A.; Gowramma, B.; Balachandran, P. In-silico design, ADMET screening, MM-GBSA binding free energy of some novel isoxazole substituted 9-anilinoacridines as HER2 inhibitors targeting breast cancer. Curr. Drug. Res. Rev. 2019, 11, 118–128.
Farnaby, W.; Koegl, M.; Roy, M. J.; Whitworth, C.; Diers, E.; Trainor, N.; Zollman, D.; Steurer, S.; Karolyi-Oezguer, J.; Riedmueller, C.; Gmaschitz, T.; Wachter, J.; Dank, C.; Galant, M.; Sharps, B.; Rumpel, K.; Traxler, E.; Gerstberger, T.; Schnitzer, R.; Petermann, O.; Greb, P.; Weinstabl, H.; Bader, G.; Zoephel, A.; Weiss-Puxbaum, A.; Ehrenhofer-Wolfer, K.; Wohrle, S.; Boehmelt, G.; Rinnenthal, J.; Arnhof, H.; Wiechens, N.; Wu, M. Y.; Owen-Hughes, T.; Ettmayer, P.; Pearson, M.; McConnell, D. B.; Ciulli, A. BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design. Nat. Chem. Biol. 2019, 15, 672–680.
Xie, X.; Liu, J.; Wang, X. Design, synthesis and biological evaluation of (2΄, 5΄ and 3΄, 5΄-Linked) cGAMP analogs that activate stimulator of interferon Genes (STING). Molecules 2020, 25.
Yang, H.; Yan, R.; Jiang, Y.; Yang, Z.; Zhang, X.; Zhou, M.; Wu, X.; Zhang, T.; Zhang, J. Design, synthesis and biological evaluation of 2-amino-4-(1, 2, 4-triazol)pyridine derivatives as potent EGFR inhibitors to overcome TKI-resistance. Eur. J. Med. Chem. 2020, 187, 111966.
Yang, C. X.; Xing, L.; Chang, X.; Zhou, T. J.; Bi, Y. Y.; Yu, Z. Q.; Zhang, Z. Q.; Jiang, H. L. Synergistic platinum(Ⅱ) prodrug nanoparticles for enhanced breast cancer therapy. Mol. Pharm. 2020, 17, 1300–1309.
Maitri Bhattacharjee , Rekha Boruah Smriti , R. N. Dutta Purkayastha , Waldemar Maniukiewicz , Shubhamoy Chowdhury , Debasish Maiti , Tamanna Akhtar . Synthesis, structural characterization, bio-activity, and density functional theory calculation on Cu(Ⅱ) complexes with hydrazone-based Schiff base ligands. Chinese Journal of Inorganic Chemistry, 2024, 40(7): 1409-1422. doi: 10.11862/CJIC.20240007
Peng ZHOU , Xiao CAI , Qingxiang MA , Xu LIU . Effects of Cu doping on the structure and optical properties of Au11(dppf)4Cl2 nanocluster. Chinese Journal of Inorganic Chemistry, 2024, 40(7): 1254-1260. doi: 10.11862/CJIC.20240047
Xin Dong , Tianqi Chen , Jing Liang , Lei Wang , Huajie Wu , Zhijin Xu , Junhua Luo , Li-Na Li . Structure design of lead-free chiral-polar perovskites for sensitive self-powered X-ray detection. Chinese Journal of Structural Chemistry, 2024, 43(6): 100256-100256. doi: 10.1016/j.cjsc.2024.100256
Jing Zhang , Charles Wang , Yaoyao Zhang , Haining Xia , Yujuan Wang , Kun Ma , Junfeng Wang . Application of magnetotactic bacteria as engineering microrobots: Higher delivery efficiency of antitumor medicine. Chinese Chemical Letters, 2024, 35(10): 109420-. doi: 10.1016/j.cclet.2023.109420
Jin Wang , Xiaoyan Pan , Junyu Zhang , Qingqing Zhang , Yanchen Li , Weiwei Guo , Jie Zhang . Active molecule-based theranostic agents for tumor vasculature normalization and antitumor efficacy. Chinese Chemical Letters, 2024, 35(8): 109187-. doi: 10.1016/j.cclet.2023.109187
Zhaomin Tang , Qian He , Jianren Zhou , Shuang Yan , Li Jiang , Yudong Wang , Chenxing Yao , Huangzhao Wei , Keda Yang , Jiajia Wang . Active-transporting of charge-reversal Cu(Ⅱ)-doped mesoporous silica nanoagents for antitumor chemo/chemodynamic therapy. Chinese Chemical Letters, 2024, 35(7): 109742-. doi: 10.1016/j.cclet.2024.109742
Chao Ma , Cong Lin , Jian Li . MicroED as a powerful technique for the structure determination of complex porous materials. Chinese Journal of Structural Chemistry, 2024, 43(3): 100209-100209. doi: 10.1016/j.cjsc.2023.100209
Yuhang Li , Yang Ling , Yanhang Ma . Application of three-dimensional electron diffraction in structure determination of zeolites. Chinese Journal of Structural Chemistry, 2024, 43(4): 100237-100237. doi: 10.1016/j.cjsc.2024.100237
Hai-Ling Wang , Zhong-Hong Zhu , Hua-Hong Zou . Structure and assembly mechanism of high-nuclear lanthanide-oxo clusters. Chinese Journal of Structural Chemistry, 2024, 43(9): 100372-100372. doi: 10.1016/j.cjsc.2024.100372
Linghui Zou , Meng Cheng , Kaili Hu , Jianfang Feng , Liangxing Tu . Vesicular drug delivery systems for oral absorption enhancement. Chinese Chemical Letters, 2024, 35(7): 109129-. doi: 10.1016/j.cclet.2023.109129
Fengjie Liu , Fansu Meng , Zhenjiang Yang , Huan Wang , Yuehong Ren , Yu Cai , Xingwang Zhang . Exosome-biomimetic nanocarriers for oral drug delivery. Chinese Chemical Letters, 2024, 35(9): 109335-. doi: 10.1016/j.cclet.2023.109335
Run-Han Li , Tian-Yi Dang , Wei Guan , Jiang Liu , Ya-Qian Lan , Zhong-Min Su . Evolution exploration and structure prediction of Keggin-type group IVB metal-oxo clusters. Chinese Chemical Letters, 2024, 35(5): 108805-. doi: 10.1016/j.cclet.2023.108805
Zhengzheng LIU , Pengyun ZHANG , Chengri WANG , Shengli HUANG , Guoyu YANG . Synthesis, structure, and electrochemical properties of a sandwich-type {Co6}-cluster-added germanotungstate. Chinese Journal of Inorganic Chemistry, 2024, 40(6): 1173-1179. doi: 10.11862/CJIC.20240039
Xiaoxia WANG , Ya'nan GUO , Feng SU , Chun HAN , Long SUN . Synthesis, structure, and electrocatalytic oxygen reduction reaction properties of metal antimony-based chalcogenide clusters. Chinese Journal of Inorganic Chemistry, 2024, 40(6): 1201-1208. doi: 10.11862/CJIC.20230478
Shiqi Peng , Yongfang Rao , Tan Li , Yufei Zhang , Jun-ji Cao , Shuncheng Lee , Yu Huang . Regulating the electronic structure of Ir single atoms by ZrO2 nanoparticles for enhanced catalytic oxidation of formaldehyde at room temperature. Chinese Chemical Letters, 2024, 35(7): 109219-. doi: 10.1016/j.cclet.2023.109219
Tiantian Li , Ruochen Jin , Bin Wu , Dongming Lan , Yunjian Ma , Yonghua Wang . A novel insight of enhancing the hydrogen peroxide tolerance of unspecific peroxygenase from Daldinia caldariorum based on structure. Chinese Chemical Letters, 2024, 35(4): 108701-. doi: 10.1016/j.cclet.2023.108701
Chen Lian , Si-Han Zhao , Hai-Lou Li , Xinhua Cao . A giant Ce-containing poly(tungstobismuthate): Synthesis, structure and catalytic performance for the decontamination of a sulfur mustard simulant. Chinese Chemical Letters, 2024, 35(10): 109343-. doi: 10.1016/j.cclet.2023.109343
Liang Ma , Zhou Li , Zhiqiang Jiang , Xiaofeng Wu , Shixin Chang , Sónia A. C. Carabineiro , Kangle Lv . Effect of precursors on the structure and photocatalytic performance of g-C3N4 for NO oxidation and CO2 reduction. Chinese Journal of Structural Chemistry, 2024, 43(11): 100416-100416. doi: 10.1016/j.cjsc.2023.100416
Ziyi Liu , Xunying Liu , Lubing Qin , Haozheng Chen , Ruikai Li , Zhenghua Tang . Alkynyl ligand for preparing atomically precise metal nanoclusters: Structure enrichment, property regulation, and functionality enhancement. Chinese Journal of Structural Chemistry, 2024, 43(11): 100405-100405. doi: 10.1016/j.cjsc.2024.100405
Wenhao Chen , Muxuan Wu , Han Chen , Lue Mo , Yirong Zhu . Cu2Se@C thin film with three-dimensional braided structure as a cathode material for enhanced Cu2+ storage. Chinese Chemical Letters, 2024, 35(5): 108698-. doi: 10.1016/j.cclet.2023.108698